data_2ka4_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 2ka4 _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 ' 346' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 CA--C 1.552 1.04 0 N-CA-C 115.597 1.703 . . . . 6.0 115.597 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -48.32 -39.67 35.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.818 3.678 . . . . 6.0 115.416 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.73 -51.34 57.02 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.174 0.989 . . . . 6.0 110.987 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -64.24 -44.48 91.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.108 0.963 . . . . 6.0 111.783 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.94 -45.08 60.48 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.681 1.592 . . . . 6.0 110.886 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -67.18 -39.28 86.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.658 0.783 . . . . 6.0 112.246 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.13 -47.79 84.44 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -42.22 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.434 1.47 . . . . 6.0 110.865 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -54.21 -48.03 71.48 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.31 0.959 . . . . 6.0 112.698 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.02 -47.66 83.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.166 0.986 . . . . 6.0 111.728 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -63.77 -44.36 93.66 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.369 0.986 . . . . 6.0 111.162 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.34 -56.81 13.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.811 0.845 . . . . 6.0 109.998 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -40.33 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 113.345 0.869 . . . . 6.0 113.345 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.78 -40.45 83.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.048 0.84 . . . . 6.0 111.507 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.94 -43.96 86.51 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.495 0.589 . . . . 6.0 110.877 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.32 -42.98 82.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.098 0.559 . . . . 6.0 111.336 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -62.45 -59.06 5.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.068 0.461 . . . . 6.0 110.011 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.87 67.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -55.7 -52.8 62.66 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 120.397 1.453 . . . . 6.0 111.489 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.12 -33.52 50.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 6.0 111.279 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.59 -35.49 79.71 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.976 0.807 . . . . 6.0 111.728 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 CA--C 1.54 0.576 0 O-C-N 120.41 -1.431 . . . . 6.0 110.234 174.391 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.557 1.228 0 CA-C-O 118.789 -0.624 . . . . 6.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -46.22 -26.33 3.74 Favored 'Trans proline' 0 C--N 1.354 0.86 1 C-N-CA 125.785 4.323 . . . . 6.0 118.218 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.77 18.82 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.279 1.432 . . . . 6.0 113.552 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.04 -51.96 60.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.759 0.79 . . . . 6.0 110.097 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.11 78.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.688 1.595 . . . . 6.0 113.481 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 33.0 m -62.98 -49.81 73.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.167 0.987 . . . . 6.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.2 mmt -65.37 -45.68 83.15 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.079 0.952 . . . . 6.0 111.461 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -55.11 -41.96 72.31 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.965 1.257 . . . . 6.0 111.94 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -63.34 -46.14 88.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.12 0.568 . . . . 6.0 111.604 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.58 -41.33 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.56 1.144 . . . . 6.0 111.85 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.21 -48.79 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.51 1.924 . . . . 6.0 112.334 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -58.86 -39.91 82.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.818 -0.551 . . . . 6.0 110.669 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -62.5 -53.37 55.73 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.987 0.915 . . . . 6.0 110.635 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 57.9 mtp -52.17 -35.83 49.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.398 1.879 . . . . 6.0 113.632 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 124.883 1.273 . . . . 6.0 113.051 179.619 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 109.148 -0.686 . . . . 6.0 109.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.95 62.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -81.42 -26.16 35.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.556 1.317 . . . . 6.0 114.556 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.43 -68.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.929 1.695 . . . . 6.0 113.91 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.83 75.81 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.57 -0.706 . . . . 6.0 112.193 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 48.0 t -62.12 -52.72 62.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.694 0.797 . . . . 6.0 110.454 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 72.8 m -58.47 -45.35 88.79 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.708 1.603 . . . . 6.0 112.317 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -56.21 -43.14 78.24 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.488 -0.757 . . . . 6.0 111.83 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -72.65 -41.95 64.9 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.81 0.67 . . . . 6.0 112.81 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.07 -41.64 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.075 -1.016 . . . . 6.0 113.221 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.96 -47.21 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.714 1.206 . . . . 6.0 110.345 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.5 m -56.48 -25.76 52.13 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.037 1.495 . . . . 6.0 115.037 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -69.25 -61.21 1.88 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.647 1.112 . . . . 6.0 110.441 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -57.43 -32.31 66.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.939 1.295 . . . . 6.0 112.566 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -57.63 -22.38 45.16 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.566 1.321 . . . . 6.0 114.566 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -129.3 -28.36 2.34 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -172.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.43 139.2 57.97 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.727 1.149 . . . . 6.0 113.213 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.2 p -133.22 -5.2 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.94 1.696 . . . . 6.0 113.525 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.18 116.79 4.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.587 1.555 . . . . 6.0 110.923 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -66.02 -8.23 21.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.724 1.75 . . . . 6.0 115.724 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -127.12 15.0 7.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.952 1.301 . . . . 6.0 113.558 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.09 127.13 69.1 Favored Pre-proline 0 CA--C 1.55 0.946 0 N-CA-C 107.109 -1.441 . . . . 6.0 107.109 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.92 -43.1 32.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.233 1.955 . . . . 6.0 111.683 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.31 -51.67 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-O 117.888 -1.053 . . . . 6.0 111.217 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.656 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 73.6 m -69.97 -29.04 66.06 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.639 1.718 . . . . 6.0 115.639 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 65.2 tp -41.77 -54.26 7.02 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 121.133 1.788 . . . . 6.0 115.275 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.23 -34.35 98.49 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 CA-C-N 122.088 1.782 . . . . 6.0 113.261 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.31 -43.38 56.98 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.939 1.245 . . . . 6.0 111.4 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.656 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 42.7 mttt -60.43 -31.59 70.55 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.3 1.44 . . . . 6.0 109.905 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -77.68 -45.12 25.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.604 1.561 . . . . 6.0 110.632 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 125.922 1.689 . . . . 6.0 113.343 176.211 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 118.95 -0.548 . . . . 6.0 111.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -58.53 163.05 11.26 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 C-N-CA 123.152 2.568 . . . . 6.0 113.522 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.77 103.86 0.38 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.533 1.933 . . . . 6.0 113.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.37 124.43 39.85 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.116 1.766 . . . . 6.0 109.796 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -55.05 122.5 11.81 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.612 2.208 . . . . 6.0 112.814 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -54.52 -34.3 61.47 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.461 1.282 . . . . 6.0 114.461 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.24 -25.99 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.555 -0.715 . . . . 6.0 112.749 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.99 -23.17 21.58 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.24 1.016 . . . . 6.0 112.14 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -58.38 -34.38 70.65 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.064 1.302 . . . . 6.0 111.159 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.84 -23.29 67.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.429 1.491 . . . . 6.0 113.734 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.67 121.97 18.92 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.47 0.708 . . . . 6.0 110.523 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -68.65 117.95 11.03 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.899 -1.148 . . . . 6.0 107.899 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.11 -5.11 58.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.588 1.555 . . . . 6.0 114.916 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.16 -44.68 99.82 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 120.082 1.31 . . . . 6.0 113.159 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.61 -36.6 74.84 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.267 1.978 . . . . 6.0 111.894 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -17.35 64.32 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.779 1.029 . . . . 6.0 113.779 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.78 -24.69 9.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.33 1.423 . . . . 6.0 114.09 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.13 -27.45 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 118.793 0.724 . . . . 6.0 112.36 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.5 -10.17 54.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.466 1.907 . . . . 6.0 114.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 35.1 tpt85 -47.71 -24.71 1.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.249 2.315 . . . . 6.0 117.249 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -141.5 34.58 1.65 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.641 1.177 . . . . 6.0 111.553 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.2 m -131.2 20.77 4.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 156.98 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.845 0.858 . . . . 6.0 112.755 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -124.34 83.11 2.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.393 2.277 . . . . 6.0 109.53 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.19 -38.26 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.209 1.403 . . . . 6.0 112.662 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.53 -19.94 24.41 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.245 1.942 . . . . 6.0 116.245 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -102.8 -17.12 15.71 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.653 1.353 . . . . 6.0 114.653 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -43.06 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.085 0.954 . . . . 6.0 111.163 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 14.8 tpp . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 125.529 1.531 . . . . 6.0 113.814 -174.479 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.822 -1.177 . . . . 6.0 107.822 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.55 -43.74 43.6 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.162 3.241 . . . . 6.0 115.68 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -71.02 -48.88 50.47 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.421 -0.799 . . . . 6.0 112.001 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.74 97.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.872 -0.517 . . . . 6.0 110.843 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -54.81 -46.4 74.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.407 1.483 . . . . 6.0 110.989 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.25 -34.78 79.18 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.502 -0.761 . . . . 6.0 112.122 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.14 -48.44 80.11 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.697 1.135 . . . . 6.0 113.426 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.71 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.494 1.497 . . . . 6.0 110.806 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -56.95 -47.18 81.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.697 1.135 . . . . 6.0 112.078 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.26 -46.48 80.33 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.007 0.923 . . . . 6.0 111.988 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.16 -44.9 94.19 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.406 1.457 . . . . 6.0 110.595 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.07 -56.91 12.59 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 6.0 110.706 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.52 -38.57 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.64 -38.12 80.51 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.227 0.921 . . . . 6.0 111.293 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.61 -44.73 81.27 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.881 0.764 . . . . 6.0 110.515 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.68 -43.47 76.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.956 0.502 . . . . 6.0 110.72 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -64.1 -58.36 6.88 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.866 0.466 . . . . 6.0 110.937 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.09 -33.64 62.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.904 1.075 . . . . 6.0 113.904 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -57.63 -58.77 6.87 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.117 0.872 . . . . 6.0 109.804 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.9 -41.21 95.62 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.991 1.316 . . . . 6.0 112.084 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.2 t -62.45 -42.34 99.39 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.262 1.025 . . . . 6.0 111.639 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 . . . . . 0 CA--C 1.548 0.869 0 C-N-CA 125.022 1.329 . . . . 6.0 111.934 174.632 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.296 0 CA-C-O 118.861 -0.59 . . . . 6.0 109.76 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -43.24 -32.03 2.98 Favored 'Trans proline' 0 C--N 1.353 0.789 1 C-N-CA 125.721 4.28 . . . . 6.0 118.862 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -129.97 23.54 5.31 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.815 1.246 . . . . 6.0 112.944 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.19 -47.09 75.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.78 0.832 . . . . 6.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -36.08 79.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.49 1.116 . . . . 6.0 112.918 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 23.1 m -62.45 -49.52 75.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.847 1.259 . . . . 6.0 109.323 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.72 -47.37 75.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.048 0.939 . . . . 6.0 111.777 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -54.34 -43.55 71.34 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.69 1.132 . . . . 6.0 111.669 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -62.11 -46.76 87.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.121 0.568 . . . . 6.0 111.512 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.31 -36.61 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.449 1.1 . . . . 6.0 111.974 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.22 -48.3 57.65 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.874 1.67 . . . . 6.0 112.282 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.97 -40.64 94.16 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.934 -0.479 . . . . 6.0 110.322 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -60.85 -52.18 66.16 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.137 0.975 . . . . 6.0 110.903 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -34.65 46.73 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.078 1.751 . . . . 6.0 113.48 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 124.388 1.075 . . . . 6.0 113.481 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 108.23 -1.026 . . . . 6.0 108.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.11 21.39 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.384 1.624 . . . . 6.0 115.384 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -88.66 -19.96 25.52 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.455 1.279 . . . . 6.0 114.455 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 14.8 t -67.03 -64.4 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.04 1.291 . . . . 6.0 110.87 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.305 0.854 . . . . 6.0 113.305 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 10.5 p -70.23 -52.1 25.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 119.139 -0.458 . . . . 6.0 111.013 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -51.87 -49.03 63.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.134 0.974 . . . . 6.0 112.141 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -47.51 -41.4 20.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.694 1.998 . . . . 6.0 112.524 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -84.01 -42.36 16.28 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.155 1.382 . . . . 6.0 112.93 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -58.92 -43.95 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.641 1.176 . . . . 6.0 112.91 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.6 mt -58.11 -44.92 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.962 1.705 . . . . 6.0 109.747 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.0 m -57.9 -24.84 59.53 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.749 1.389 . . . . 6.0 114.749 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -72.34 -55.12 7.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.253 1.388 . . . . 6.0 110.652 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -59.19 -31.26 68.85 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.986 1.314 . . . . 6.0 112.689 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.42 -14.09 61.67 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.193 1.397 . . . . 6.0 114.409 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -131.35 -31.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . 0.406 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.9 t -68.77 138.88 55.19 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.557 1.071 . . . . 6.0 113.479 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 65.6 p -132.14 -3.12 3.53 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.68 1.992 . . . . 6.0 112.819 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . 0.417 ' HE ' ' CB ' ' A' ' 426' ' ' CYS . 22.8 ttp-105 -60.94 106.45 0.58 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.894 2.477 . . . . 6.0 110.869 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -64.9 -1.83 2.25 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.664 1.727 . . . . 6.0 115.664 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.25 17.38 4.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.305 1.442 . . . . 6.0 112.756 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . 0.417 ' CB ' ' HE ' ' A' ' 423' ' ' ARG . 26.3 t -58.28 125.85 76.48 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.551 1.54 . . . . 6.0 109.986 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -40.62 56.66 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.295 2.664 . . . . 6.0 113.223 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 52.5 t -88.75 -49.17 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 117.07 -1.443 . . . . 6.0 112.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.629 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 37.0 m -71.42 -25.75 62.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 121.854 2.115 . . . . 6.0 115.631 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -39.26 -55.26 3.19 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 121.042 1.746 . . . . 6.0 114.885 -175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.98 -36.14 90.86 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.338 2.025 . . . . 6.0 113.451 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.76 -40.75 72.48 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.424 1.465 . . . . 6.0 111.198 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.629 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 40.1 mttt -64.61 -30.99 72.02 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.109 1.364 . . . . 6.0 109.531 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -73.37 -46.7 47.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.776 0.83 . . . . 6.0 109.846 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 126.035 1.734 . . . . 6.0 114.228 177.393 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.954 0.724 . . . . 6.0 112.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.52 162.03 25.78 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.786 2.324 . . . . 6.0 113.495 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.11 97.18 0.36 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.942 1.697 . . . . 6.0 114.292 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.3 tt -44.72 126.13 5.06 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 127.431 2.292 . . . . 6.0 111.5 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -52.46 125.95 19.26 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.409 2.739 . . . . 6.0 113.986 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -54.9 -33.8 62.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.787 1.235 . . . . 6.0 114.108 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.66 -28.24 67.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.131 -0.981 . . . . 6.0 112.001 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.11 -24.0 21.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.691 1.197 . . . . 6.0 112.832 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -52.76 -41.73 64.33 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 120.032 1.287 . . . . 6.0 111.77 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -69.38 -13.85 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.881 1.672 . . . . 6.0 114.556 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.6 mt -70.24 130.62 42.5 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.547 1.067 . . . . 6.0 111.128 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -71.14 105.75 3.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.694 0.798 . . . . 6.0 110.157 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.74 -9.02 53.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.051 1.34 . . . . 6.0 114.359 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.81 -46.2 99.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.249 1.386 . . . . 6.0 113.845 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.63 -23.63 26.64 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 121.844 1.696 . . . . 6.0 111.356 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.5 mtt -68.41 -16.79 64.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.356 1.062 . . . . 6.0 113.155 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.05 -24.45 6.74 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.339 1.237 . . . . 6.0 114.339 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.8 pt -63.56 -30.15 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 119.172 0.897 . . . . 6.0 112.174 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -83.7 -12.68 55.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.776 1.631 . . . . 6.0 114.519 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -48.17 -28.23 2.85 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.063 1.875 . . . . 6.0 116.063 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -134.07 35.21 3.29 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.553 1.069 . . . . 6.0 112.112 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.1 m -135.13 19.77 3.43 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.33 1.974 . . . . 6.0 116.33 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.66 156.03 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.22 0.918 . . . . 6.0 112.686 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -123.85 86.43 2.57 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.54 2.336 . . . . 6.0 108.863 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -48.7 -36.59 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.89 1.276 . . . . 6.0 112.908 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.62 -20.01 21.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.315 1.968 . . . . 6.0 116.315 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -99.53 -18.0 17.61 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.758 1.392 . . . . 6.0 114.758 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -42.68 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.633 1.173 . . . . 6.0 111.869 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.9 tpp . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 126.159 1.784 . . . . 6.0 114.771 -172.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 CA--C 1.554 1.112 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.15 -43.05 26.16 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.882 3.722 . . . . 6.0 114.919 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.54 -48.01 65.41 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.708 0.803 . . . . 6.0 111.804 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.36 -46.38 88.92 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.753 -0.592 . . . . 6.0 110.653 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -50.65 -45.67 58.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.483 1.513 . . . . 6.0 110.515 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -61.67 -44.95 95.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.106 0.963 . . . . 6.0 111.746 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.27 -51.43 69.82 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.692 1.367 . . . . 6.0 114.692 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -41.06 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 120.248 1.386 . . . . 6.0 110.999 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.22 -45.9 79.72 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.553 1.07 . . . . 6.0 112.124 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.18 -47.29 80.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.11 0.964 . . . . 6.0 112.089 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.17 -43.68 97.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.885 1.221 . . . . 6.0 110.696 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -53.42 56.91 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.541 0.736 . . . . 6.0 110.622 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.65 -39.06 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 113.33 0.863 . . . . 6.0 113.33 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.15 -40.24 89.14 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.294 0.952 . . . . 6.0 110.91 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.0 -45.78 84.17 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.896 0.478 . . . . 6.0 110.115 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.81 -35.16 70.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 6.0 112.541 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -69.8 -58.45 3.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.788 0.722 . . . . 6.0 109.887 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.97 64.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.281 . . . . 6.0 113.974 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -53.38 6.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.641 1.976 . . . . 6.0 112.388 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.14 -29.75 18.09 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.517 1.127 . . . . 6.0 112.291 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.13 -37.19 79.31 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.263 1.03 . . . . 6.0 111.285 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 125.696 1.598 . . . . 6.0 112.042 173.554 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 CA-C-O 119.243 -0.408 . . . . 6.0 111.929 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.02 -27.65 6.28 Favored 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 125.591 4.194 . . . . 6.0 118.392 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.3 22.23 5.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.232 1.413 . . . . 6.0 113.978 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.76 -50.74 69.59 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.288 -0.882 . . . . 6.0 112.319 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -27.14 66.66 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.676 -1.265 . . . . 6.0 113.4 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -63.3 -50.18 71.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.608 1.563 . . . . 6.0 108.535 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.29 -44.44 83.51 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.376 1.071 . . . . 6.0 112.253 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.51 -43.72 84.45 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 119.277 0.944 . . . . 6.0 111.929 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -65.42 -41.32 93.69 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.526 0.73 . . . . 6.0 111.56 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 13.4 t -64.43 -45.65 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.112 0.965 . . . . 6.0 110.69 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.63 -47.39 78.72 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 6.0 111.883 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.56 -42.8 83.75 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.929 -0.482 . . . . 6.0 110.988 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -60.74 -53.48 56.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.648 0.779 . . . . 6.0 110.531 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.1 mtp -52.66 -38.9 61.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.741 1.616 . . . . 6.0 112.954 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.018 1.327 . . . . 6.0 113.54 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 121.78 0.8 . . . . 6.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.2 61.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.976 1.472 . . . . 6.0 114.976 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.22 -20.55 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.27 1.211 . . . . 6.0 114.27 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.07 -65.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.177 1.353 . . . . 6.0 112.576 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.82 79.07 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.264 0.838 . . . . 6.0 113.264 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 20.7 p -65.6 -51.89 56.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.051 0.387 . . . . 6.0 110.643 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.0 m -52.67 -47.53 67.09 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.689 1.196 . . . . 6.0 112.361 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -55.3 -28.37 53.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.978 1.311 . . . . 6.0 113.321 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -90.17 -44.74 9.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.58 1.152 . . . . 6.0 112.044 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.47 -43.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.414 1.486 . . . . 6.0 114.095 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.53 -48.07 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.406 1.482 . . . . 6.0 109.969 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.1 m -56.75 -24.31 49.05 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.317 1.599 . . . . 6.0 115.317 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -67.47 -56.43 9.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.28 1.4 . . . . 6.0 109.71 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -58.25 -37.39 74.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.711 1.204 . . . . 6.0 112.774 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -61.01 -15.66 34.46 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.619 1.34 . . . . 6.0 114.619 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -128.78 -27.75 2.53 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.026 1.862 . . . . 6.0 116.026 -174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . 0.416 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.3 t -66.1 142.38 57.79 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.835 1.198 . . . . 6.0 113.216 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.7 p -130.42 -7.13 4.21 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.335 1.854 . . . . 6.0 113.203 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . 0.401 ' HE ' ' CB ' ' A' ' 426' ' ' CYS . 23.4 ttp-105 -63.23 104.76 0.63 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.119 2.568 . . . . 6.0 111.091 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -63.92 -1.56 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.86 1.8 . . . . 6.0 115.86 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -132.87 20.14 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.624 1.57 . . . . 6.0 112.246 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . 0.401 ' CB ' ' HE ' ' A' ' 423' ' ' ARG . 43.8 t -55.9 128.17 69.98 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.757 1.623 . . . . 6.0 111.428 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.93 -27.76 36.71 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.932 2.421 . . . . 6.0 114.929 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.33 -47.46 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 116.862 -1.542 . . . . 6.0 111.082 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.59 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 21.9 m -69.67 -24.05 63.55 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.596 1.998 . . . . 6.0 114.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.5 tp -40.4 -55.76 4.01 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-N 121.909 2.141 . . . . 6.0 114.728 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.84 -41.37 76.19 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 121.996 1.797 . . . . 6.0 113.057 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.96 -39.73 87.31 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.264 1.393 . . . . 6.0 112.059 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.59 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.2 mttt -63.81 -40.57 96.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.701 1.2 . . . . 6.0 109.04 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.59 -44.99 80.7 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.203 1.001 . . . . 6.0 111.119 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 127.456 2.302 . . . . 6.0 114.296 178.316 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 108.055 -1.091 . . . . 6.0 108.055 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.33 157.79 20.76 Favored 'Trans proline' 0 CA--C 1.548 1.211 0 C-N-CA 123.491 2.794 . . . . 6.0 112.835 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -70.22 101.96 2.0 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.938 1.295 . . . . 6.0 114.005 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -34.92 127.16 0.52 Allowed Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 129.343 3.057 . . . . 6.0 112.9 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.2 129.43 33.4 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.065 2.51 . . . . 6.0 114.267 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -47.94 -42.83 28.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.304 1.841 . . . . 6.0 114.903 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.79 -27.71 66.98 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.799 0.839 . . . . 6.0 113.037 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.04 -26.16 20.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.424 1.09 . . . . 6.0 112.804 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.94 -36.34 65.18 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.905 1.229 . . . . 6.0 111.905 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.79 -11.46 60.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.467 1.507 . . . . 6.0 114.724 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 28.6 mt -70.42 135.66 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.806 1.184 . . . . 6.0 110.898 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -73.3 108.41 6.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.643 -0.503 . . . . 6.0 109.643 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.6 p -90.71 -9.14 47.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.954 1.301 . . . . 6.0 114.406 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.67 -45.62 99.63 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.399 1.454 . . . . 6.0 112.995 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -61.95 -34.17 81.85 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.545 2.164 . . . . 6.0 112.214 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.7 -16.81 63.43 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.398 1.079 . . . . 6.0 113.664 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.84 -22.92 16.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.308 1.225 . . . . 6.0 114.308 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.46 -28.46 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.329 0.968 . . . . 6.0 111.71 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.75 -11.93 49.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.106 1.763 . . . . 6.0 114.221 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -48.11 -27.32 2.27 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.797 2.147 . . . . 6.0 116.797 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.03 31.18 3.28 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.606 1.562 . . . . 6.0 112.425 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.2 m -128.86 17.3 6.25 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.887 1.81 . . . . 6.0 115.887 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.77 149.91 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.074 0.852 . . . . 6.0 112.536 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -119.14 86.51 2.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.956 2.102 . . . . 6.0 106.878 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.3 mt -38.62 -47.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.568 1.947 . . . . 6.0 113.038 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.03 -20.08 26.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 116.506 2.039 . . . . 6.0 116.506 -174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -86.15 -25.77 25.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -42.36 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.589 1.956 . . . . 6.0 113.495 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 51.3 mmm . . . . . 0 CA--C 1.55 0.976 0 C-N-CA 128.071 2.549 . . . . 6.0 116.946 -169.633 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 CA--C 1.552 1.053 0 CA-C-O 118.655 -0.688 . . . . 6.0 112.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -54.16 -42.04 70.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.398 2.732 . . . . 6.0 114.599 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -43.3 67.22 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.684 -0.635 . . . . 6.0 111.997 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -62.41 -46.13 90.0 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.844 0.747 . . . . 6.0 109.588 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 34.2 ttp85 -50.08 -47.12 53.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.445 1.498 . . . . 6.0 110.611 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -66.02 -33.65 76.29 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.659 1.184 . . . . 6.0 113.754 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.23 -50.95 62.05 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.541 1.519 . . . . 6.0 112.776 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.49 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.955 1.252 . . . . 6.0 110.923 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.87 -47.27 80.84 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.601 1.092 . . . . 6.0 111.638 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.05 -43.69 74.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 117.949 -1.024 . . . . 6.0 113.587 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.36 -45.16 94.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.39 1.45 . . . . 6.0 110.463 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 53.7 tp -53.63 -51.49 62.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.415 1.086 . . . . 6.0 111.481 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 28.0 t -65.35 -40.53 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.72 0.637 . . . . 6.0 112.72 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.03 -41.01 86.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.546 0.612 . . . . 6.0 111.657 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.79 -47.67 79.97 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.867 0.758 . . . . 6.0 110.843 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.52 -39.39 76.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.578 0.751 . . . . 6.0 111.908 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -64.46 -58.32 6.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.452 0.569 . . . . 6.0 110.12 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.43 65.06 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.694 1.368 . . . . 6.0 114.694 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -54.51 -43.33 71.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.476 1.11 . . . . 6.0 111.94 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -88.9 -34.27 17.01 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.233 1.413 . . . . 6.0 111.584 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -61.59 -37.22 83.1 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.001 0.819 . . . . 6.0 112.155 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 CA--C 1.544 0.72 0 O-C-N 120.556 -1.34 . . . . 6.0 111.06 173.598 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.556 1.178 0 N-CA-C 108.18 -1.045 . . . . 6.0 108.18 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -39.63 -30.55 0.34 Allowed 'Trans proline' 0 CA--C 1.54 0.8 1 C-N-CA 125.831 4.354 . . . . 6.0 119.299 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.16 22.07 4.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.794 1.237 . . . . 6.0 113.189 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.16 -50.34 67.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.892 0.877 . . . . 6.0 110.929 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -36.38 76.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.287 1.035 . . . . 6.0 112.781 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 89.4 m -64.02 -49.38 72.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.404 1.082 . . . . 6.0 109.714 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.6 mmt -64.57 -46.03 84.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.217 0.607 . . . . 6.0 111.399 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.289 1.036 . . . . 6.0 111.517 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -63.74 -45.48 89.67 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.745 0.818 . . . . 6.0 111.337 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.8 -39.1 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.346 1.059 . . . . 6.0 111.61 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.7 -45.65 67.77 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.673 1.589 . . . . 6.0 112.128 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -64.5 -37.18 86.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.193 0.197 . . . . 6.0 110.676 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.81 -49.69 76.47 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.621 -0.674 . . . . 6.0 109.213 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 68.0 mtp -51.72 -39.61 58.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.356 1.463 . . . . 6.0 111.952 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 108.837 -0.801 . . . . 6.0 108.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.86 29.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.062 1.875 . . . . 6.0 116.062 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -90.08 -25.01 20.98 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.316 1.228 . . . . 6.0 114.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 40.1 t -59.58 -65.35 0.69 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.482 1.513 . . . . 6.0 113.378 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.17 69.46 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.627 -0.671 . . . . 6.0 112.465 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.1 m -67.65 -47.63 68.98 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.992 -0.443 . . . . 6.0 111.37 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -57.5 -45.7 84.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.256 1.423 . . . . 6.0 111.541 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -50.65 -43.57 57.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.123 0.969 . . . . 6.0 112.393 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -79.11 -43.61 23.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.767 0.827 . . . . 6.0 111.976 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -56.12 -44.44 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.153 0.981 . . . . 6.0 112.407 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.2 -58.28 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.552 1.141 . . . . 6.0 110.103 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -54.18 -27.2 32.41 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.77 -63.36 1.08 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.091 0.86 . . . . 6.0 110.688 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -56.01 -41.01 74.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.236 1.014 . . . . 6.0 112.938 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -65.15 -9.88 26.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.504 1.522 . . . . 6.0 114.303 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -130.54 -27.35 2.17 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.848 1.796 . . . . 6.0 115.848 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.87 113.05 2.83 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.06 1.3 . . . . 6.0 112.902 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.9 p -90.75 -9.81 45.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.958 1.303 . . . . 6.0 113.632 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -62.74 116.24 5.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 6.0 112.996 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.2 -4.26 20.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.548 0.739 . . . . 6.0 112.805 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.2 14.73 7.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.671 1.588 . . . . 6.0 114.163 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.0 t -56.7 130.56 77.75 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.325 1.05 . . . . 6.0 111.961 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -57.5 -19.4 36.28 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.456 2.771 . . . . 6.0 115.343 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.26 -39.22 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.791 1.178 . . . . 6.0 111.372 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.644 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.6 m -74.71 -28.01 60.62 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.596 1.544 . . . . 6.0 113.985 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.3 tp -41.14 -54.95 5.38 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 121.225 1.83 . . . . 6.0 115.144 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -59.84 -32.62 95.66 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 CA-C-N 121.735 1.656 . . . . 6.0 113.042 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -38.78 61.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.284 1.402 . . . . 6.0 111.589 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.644 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 49.3 mttt -63.29 -31.41 72.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.91 1.284 . . . . 6.0 109.696 176.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -71.43 -55.75 7.3 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.453 -0.943 . . . . 6.0 108.453 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 126.286 1.834 . . . . 6.0 115.045 -179.026 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 120.949 0.404 . . . . 6.0 111.912 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.78 156.75 41.39 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.026 2.484 . . . . 6.0 111.015 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.53 100.27 2.21 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.04 1.126 . . . . 6.0 114.04 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -33.49 126.72 0.43 Allowed Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 129.862 3.265 . . . . 6.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -56.16 129.88 37.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.825 2.35 . . . . 6.0 114.169 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -50.12 -41.75 49.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.764 1.626 . . . . 6.0 115.25 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -66.87 -24.58 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.27 -0.893 . . . . 6.0 113.003 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.13 -25.15 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.418 1.087 . . . . 6.0 112.603 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.05 -37.53 71.93 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 120.176 1.353 . . . . 6.0 111.519 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.85 -14.9 62.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.609 1.564 . . . . 6.0 114.254 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 27.0 mt -70.06 137.27 51.1 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.606 1.094 . . . . 6.0 111.22 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -73.26 103.75 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.57 0.748 . . . . 6.0 109.753 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.4 p -86.06 -9.71 56.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.671 1.188 . . . . 6.0 113.698 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.12 -49.32 94.65 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 120.217 1.372 . . . . 6.0 114.107 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.23 -23.68 28.37 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-N 121.57 1.596 . . . . 6.0 111.052 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.98 -16.93 64.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.455 1.102 . . . . 6.0 113.283 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.07 -18.51 5.48 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.064 1.505 . . . . 6.0 115.064 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 17.8 pt -67.91 -32.7 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 119.077 0.853 . . . . 6.0 111.391 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.51 -15.53 56.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.118 1.767 . . . . 6.0 114.394 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -27.86 0.21 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 117.875 2.546 . . . . 6.0 117.875 -172.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 35.25 1.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.294 1.438 . . . . 6.0 112.053 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.0 m -128.37 19.01 6.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.457 1.651 . . . . 6.0 115.457 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.63 155.16 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 6.0 111.852 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -122.95 86.16 2.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.569 1.947 . . . . 6.0 107.827 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.84 -42.41 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.72 1.608 . . . . 6.0 112.93 -172.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -85.16 -19.98 30.95 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.557 1.688 . . . . 6.0 115.557 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.3 -19.69 21.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.518 1.508 . . . . 6.0 114.884 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -42.87 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.16 0.984 . . . . 6.0 111.866 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 3.8 tpp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.372 1.069 . . . . 6.0 113.812 -175.212 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 119.326 -0.368 . . . . 6.0 110.432 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.93 -29.58 27.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.718 3.612 . . . . 6.0 117.294 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.92 -47.78 8.3 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.514 1.052 . . . . 6.0 112.017 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -38.27 89.44 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.974 -0.454 . . . . 6.0 110.582 176.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.45 -44.99 81.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.425 1.49 . . . . 6.0 112.088 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.0 -39.54 95.09 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.012 0.823 . . . . 6.0 111.803 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.28 -49.06 78.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.004 1.112 . . . . 6.0 114.004 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -40.82 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.033 1.288 . . . . 6.0 110.94 175.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -57.43 -44.89 85.07 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.674 1.125 . . . . 6.0 112.682 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -65.95 -49.15 68.93 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.655 1.182 . . . . 6.0 111.769 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.49 -44.94 95.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.171 1.35 . . . . 6.0 110.512 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.11 -54.38 36.49 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.096 0.959 . . . . 6.0 111.613 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.21 -38.95 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.863 0.69 . . . . 6.0 112.863 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.05 -38.85 80.34 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.878 0.763 . . . . 6.0 111.328 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.5 -46.78 75.09 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.768 0.713 . . . . 6.0 111.28 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.27 -35.6 69.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.101 0.96 . . . . 6.0 111.347 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -71.17 -60.18 2.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.183 0.593 . . . . 6.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.66 -34.51 58.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.18 -58.75 7.28 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.32 1.418 . . . . 6.0 111.308 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -66.09 -32.79 74.46 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.678 -0.639 . . . . 6.0 111.724 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 37.4 t -63.62 -39.97 95.71 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.568 0.747 . . . . 6.0 111.749 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 CA--C 1.543 0.706 0 O-C-N 120.695 -1.253 . . . . 6.0 110.031 174.633 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 119.116 -0.469 . . . . 6.0 111.2 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -45.94 -30.59 7.24 Favored 'Trans proline' 0 CA--C 1.541 0.854 1 C-N-CA 125.49 4.127 . . . . 6.0 118.608 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.45 23.5 5.13 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.98 1.312 . . . . 6.0 112.801 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . 0.446 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.47 -46.32 69.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.126 1.37 . . . . 6.0 110.989 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -34.41 77.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.044 1.337 . . . . 6.0 113.289 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.9 m -62.27 -48.1 81.4 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.821 1.248 . . . . 6.0 108.903 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -65.09 -46.45 81.06 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.709 0.803 . . . . 6.0 111.916 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 56.7 mttp -53.52 -41.53 66.45 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 119.933 1.242 . . . . 6.0 112.384 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -66.0 -46.89 76.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.775 0.83 . . . . 6.0 111.71 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.39 -39.75 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.383 1.073 . . . . 6.0 111.514 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.3 mt -66.77 -49.97 64.21 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.089 1.756 . . . . 6.0 111.952 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -59.53 -42.08 91.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.78 -0.575 . . . . 6.0 110.846 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -59.23 -53.06 62.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.571 0.748 . . . . 6.0 110.432 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -35.72 47.92 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.949 1.7 . . . . 6.0 113.995 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.135 0.974 . . . . 6.0 113.082 -179.813 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 107.825 -1.176 . . . . 6.0 107.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.99 17.42 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.745 1.758 . . . . 6.0 115.745 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.02 -14.77 33.23 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.659 1.355 . . . . 6.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.86 -65.36 0.73 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.208 1.367 . . . . 6.0 111.442 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.94 -33.47 62.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.977 0.732 . . . . 6.0 112.977 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 8.2 p -70.51 -53.76 14.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.108 -0.472 . . . . 6.0 110.995 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 70.4 m -51.96 -46.95 64.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.169 0.988 . . . . 6.0 112.816 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -52.78 -34.57 53.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.637 1.975 . . . . 6.0 113.22 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -90.0 -42.43 11.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.963 1.305 . . . . 6.0 112.626 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.82 -45.41 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.898 1.279 . . . . 6.0 112.808 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.53 -51.3 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.426 1.49 . . . . 6.0 111.126 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.3 m -56.57 -31.0 63.8 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.856 1.428 . . . . 6.0 114.856 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -63.21 -57.5 10.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.162 0.892 . . . . 6.0 110.705 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -56.74 -32.62 65.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.352 1.461 . . . . 6.0 112.986 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -71.71 -9.95 59.04 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.861 1.43 . . . . 6.0 114.861 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -127.78 -29.57 2.59 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.19 1.552 . . . . 6.0 115.19 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.7 t -68.64 140.29 55.49 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.465 1.029 . . . . 6.0 112.779 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 59.8 p -132.0 -7.19 3.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.887 1.675 . . . . 6.0 113.419 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.65 116.78 6.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.612 1.565 . . . . 6.0 110.087 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.28 -22.59 66.3 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.801 0.667 . . . . 6.0 112.801 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -102.91 13.91 33.21 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.88 1.067 . . . . 6.0 113.88 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.74 126.2 79.49 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 105.33 -2.1 . . . . 6.0 105.33 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.73 -39.16 35.83 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.775 1.65 . . . . 6.0 111.281 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.78 -52.13 18.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.591 1.156 . . . . 6.0 110.938 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.708 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 87.8 m -69.77 -31.47 69.43 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.744 1.757 . . . . 6.0 115.744 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 59.4 tp -41.25 -53.3 6.85 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 120.8 1.636 . . . . 6.0 115.32 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.05 -38.26 88.39 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 CA-C-N 122.32 1.864 . . . . 6.0 113.124 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.35 -42.06 72.34 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.38 1.445 . . . . 6.0 111.519 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.708 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 36.3 mttt -61.63 -36.4 80.67 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.781 1.232 . . . . 6.0 109.427 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -69.56 -48.17 61.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.85 0.86 . . . . 6.0 110.442 172.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 126.941 2.096 . . . . 6.0 114.197 177.471 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 114.873 1.434 . . . . 6.0 114.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 160.28 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.768 2.312 . . . . 6.0 113.227 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.68 113.48 3.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.902 1.681 . . . . 6.0 113.692 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.28 126.61 78.87 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 125.858 1.663 . . . . 6.0 110.567 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -56.27 128.01 28.37 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.451 2.101 . . . . 6.0 113.445 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -48.41 -45.22 35.77 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.587 1.555 . . . . 6.0 114.354 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.06 -24.02 67.34 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.672 0.989 . . . . 6.0 113.672 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.2 -24.16 21.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.262 1.025 . . . . 6.0 113.103 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -56.06 -39.59 72.26 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 120.254 1.388 . . . . 6.0 111.702 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.26 -16.01 64.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.415 1.486 . . . . 6.0 114.497 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.74 128.14 35.6 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.559 1.072 . . . . 6.0 110.857 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -69.98 104.6 2.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.613 0.765 . . . . 6.0 110.118 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.56 -10.3 57.53 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.61 -49.92 88.49 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.495 1.498 . . . . 6.0 114.354 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.4 -22.57 28.99 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 CA-C-N 121.418 1.542 . . . . 6.0 111.818 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 30.9 mtt -67.43 -16.67 64.36 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.382 1.073 . . . . 6.0 113.108 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.79 -22.17 8.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.809 1.411 . . . . 6.0 114.809 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 29.8 pt -62.56 -30.93 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 119.389 0.995 . . . . 6.0 111.672 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -84.78 -10.18 57.46 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.413 1.885 . . . . 6.0 114.334 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -48.63 -22.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 117.31 2.337 . . . . 6.0 117.31 -173.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.07 33.87 1.36 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.151 1.38 . . . . 6.0 112.377 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.1 m -131.66 22.39 4.66 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.341 1.978 . . . . 6.0 116.341 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -142.08 151.36 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.214 0.915 . . . . 6.0 113.029 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -116.85 82.89 1.88 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.043 2.137 . . . . 6.0 108.856 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.05 -36.03 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.963 1.305 . . . . 6.0 112.459 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.42 -19.78 20.96 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.476 2.028 . . . . 6.0 116.476 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -99.1 -17.98 17.94 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.224 1.374 . . . . 6.0 114.392 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.509 1.123 . . . . 6.0 111.479 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 20.3 tpp . . . . . 0 CA--C 1.548 0.892 0 C-N-CA 126.024 1.73 . . . . 6.0 114.33 -173.796 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 CA--C 1.555 1.157 0 N-CA-C 115.646 1.721 . . . . 6.0 115.646 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.47 -41.04 23.41 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.96 3.773 . . . . 6.0 115.977 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.65 -47.92 36.3 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.351 -0.843 . . . . 6.0 112.0 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -40.99 95.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.711 -0.618 . . . . 6.0 109.886 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -54.78 -46.22 74.4 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.89 1.676 . . . . 6.0 110.755 173.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -63.87 -33.59 76.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.173 0.989 . . . . 6.0 112.362 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.04 -46.97 72.81 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.63 1.104 . . . . 6.0 113.563 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.39 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.5 1.5 . . . . 6.0 111.056 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.42 -48.32 71.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.371 0.987 . . . . 6.0 112.531 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -67.04 -42.53 84.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.176 -0.916 . . . . 6.0 112.748 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.909 1.232 . . . . 6.0 110.758 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.57 -57.01 12.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.877 0.871 . . . . 6.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 33.3 t -59.71 -40.72 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.98 -39.27 85.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.94 0.791 . . . . 6.0 111.736 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.45 -45.39 83.98 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.067 0.849 . . . . 6.0 110.688 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.18 -44.46 75.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.454 0.702 . . . . 6.0 111.342 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.39 -58.82 5.38 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.788 0.435 . . . . 6.0 110.471 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.19 -38.08 56.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.57 1.693 . . . . 6.0 115.57 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.4 -59.89 4.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.839 1.199 . . . . 6.0 111.12 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -68.58 -32.11 71.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.831 -0.604 . . . . 6.0 111.959 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.7 t -61.78 -40.12 94.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.859 0.754 . . . . 6.0 111.044 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? . . . . . 0 CA--C 1.538 0.516 0 O-C-N 120.854 -1.154 . . . . 6.0 109.474 173.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.026 0 CA-C-O 118.996 -0.525 . . . . 6.0 111.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -43.29 -30.34 2.24 Favored 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.039 4.493 . . . . 6.0 118.269 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -131.19 21.26 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.721 1.208 . . . . 6.0 113.711 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 -47.69 65.42 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.377 -0.827 . . . . 6.0 111.652 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -34.83 75.21 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.565 1.146 . . . . 6.0 113.057 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.3 m -64.7 -50.59 66.35 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.482 1.113 . . . . 6.0 108.907 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -45.21 87.08 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.082 0.953 . . . . 6.0 111.133 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -56.22 -42.11 76.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.189 0.996 . . . . 6.0 112.03 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -65.52 -44.12 87.9 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.36 0.664 . . . . 6.0 111.704 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.99 -42.08 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.112 0.965 . . . . 6.0 110.965 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.52 -49.03 70.47 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.871 1.668 . . . . 6.0 112.163 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.83 -42.55 89.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.826 -0.547 . . . . 6.0 110.757 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -59.49 -53.81 53.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.541 0.737 . . . . 6.0 110.434 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 60.7 mtp -52.58 -35.27 53.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.122 1.769 . . . . 6.0 113.976 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 124.41 1.084 . . . . 6.0 113.272 -179.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.932 -1.136 . . . . 6.0 107.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.62 68.55 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.495 1.665 . . . . 6.0 115.495 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -82.99 -27.32 30.51 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.252 1.205 . . . . 6.0 114.252 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.08 -64.86 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.734 1.614 . . . . 6.0 113.005 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.63 78.2 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.89 0.7 . . . . 6.0 112.89 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 71.9 m -66.58 -45.32 79.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 122.129 -0.357 . . . . 6.0 111.565 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.9 m -59.39 -45.35 91.72 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.754 1.221 . . . . 6.0 111.722 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -39.09 33.98 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.988 1.715 . . . . 6.0 112.212 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -85.88 -41.58 14.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.72 1.208 . . . . 6.0 112.239 176.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -41.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.372 0.987 . . . . 6.0 112.555 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.31 -47.73 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.726 1.611 . . . . 6.0 110.45 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.1 t -54.74 -30.88 57.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.467 1.284 . . . . 6.0 114.467 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -68.49 -59.66 2.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.382 0.992 . . . . 6.0 111.964 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.91 -30.69 69.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.861 0.865 . . . . 6.0 112.392 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.89 -13.27 61.52 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.343 1.457 . . . . 6.0 114.383 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -134.16 -26.12 1.51 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.255 1.946 . . . . 6.0 116.255 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.0 t -64.47 149.66 48.1 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.868 1.213 . . . . 6.0 113.74 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 71.2 p -136.46 -3.49 2.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.541 1.936 . . . . 6.0 113.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -63.66 113.57 3.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.045 1.338 . . . . 6.0 111.97 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -68.49 -5.0 17.01 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.17 0.804 . . . . 6.0 113.17 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -128.55 15.95 6.5 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.402 1.881 . . . . 6.0 113.501 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.11 129.36 79.07 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.523 1.129 . . . . 6.0 109.225 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.09 -44.94 42.09 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.658 2.239 . . . . 6.0 111.635 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.44 -52.87 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.801 1.24 . . . . 6.0 112.001 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.618 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 33.6 m -70.13 -27.22 64.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -42.79 -53.27 10.14 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 120.917 1.689 . . . . 6.0 114.835 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.86 -35.75 98.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 CA-C-N 122.022 1.758 . . . . 6.0 113.353 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.21 -41.53 61.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.708 1.595 . . . . 6.0 111.732 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.618 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 45.5 mttt -63.99 -28.16 69.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.087 1.355 . . . . 6.0 110.353 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.3 -46.37 16.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.883 1.273 . . . . 6.0 109.849 171.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.523 0 C-N-CA 125.834 1.654 . . . . 6.0 113.056 179.092 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 CA--C 1.547 0.851 0 CA-C-O 118.991 -0.528 . . . . 6.0 111.845 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.41 154.88 33.03 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.206 2.604 . . . . 6.0 112.892 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.0 106.66 1.08 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.814 1.245 . . . . 6.0 112.766 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.23 127.17 29.04 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 127.36 2.264 . . . . 6.0 110.831 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -52.17 124.77 15.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.236 2.624 . . . . 6.0 113.54 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -51.04 -37.64 46.61 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.464 1.283 . . . . 6.0 114.464 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.08 -28.79 69.7 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.974 0.91 . . . . 6.0 112.408 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.09 -28.18 19.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.521 1.129 . . . . 6.0 112.939 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -56.27 -37.49 69.9 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 120.319 1.418 . . . . 6.0 111.882 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -70.45 -13.22 62.03 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.102 1.361 . . . . 6.0 114.277 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 28.1 mt -68.15 132.37 47.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.82 1.191 . . . . 6.0 111.009 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.37 103.55 3.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.759 0.823 . . . . 6.0 109.297 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -5.19 59.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.667 1.587 . . . . 6.0 115.154 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.74 -42.96 98.21 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 114.35 1.241 . . . . 6.0 114.35 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.2 -26.87 12.18 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 122.11 1.789 . . . . 6.0 111.128 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -17.53 63.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 6.0 112.861 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -50.56 -24.33 3.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.601 1.334 . . . . 6.0 114.601 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.7 pt -68.91 -29.3 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 118.959 0.8 . . . . 6.0 112.348 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -83.53 -10.91 58.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.276 1.83 . . . . 6.0 114.038 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.38 -27.0 0.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.138 2.644 . . . . 6.0 118.138 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -147.8 37.44 0.89 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.434 1.015 . . . . 6.0 111.687 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.7 m -123.5 21.79 9.32 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.996 1.318 . . . . 6.0 114.068 -174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.9 t -143.6 153.96 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.477 1.111 . . . . 6.0 111.423 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -118.72 85.93 2.45 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.225 1.81 . . . . 6.0 107.65 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -48.7 -36.41 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.735 1.214 . . . . 6.0 111.885 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.51 -19.98 23.19 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.282 1.956 . . . . 6.0 116.282 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -98.91 -17.51 18.33 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.536 1.516 . . . . 6.0 114.992 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -39.78 85.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 6.0 110.738 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 125.341 1.456 . . . . 6.0 113.092 -177.336 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 CA--C 1.555 1.165 0 N-CA-C 113.581 0.956 . . . . 6.0 113.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.88 -42.64 65.0 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.031 3.154 . . . . 6.0 115.999 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.43 -47.36 67.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.289 -0.882 . . . . 6.0 111.435 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -41.34 98.73 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.851 0.46 . . . . 6.0 110.36 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -54.8 -47.62 73.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.063 1.345 . . . . 6.0 110.863 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.466 1.106 . . . . 6.0 112.431 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.01 -47.49 61.91 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.958 1.096 . . . . 6.0 113.958 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -39.0 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 120.368 1.44 . . . . 6.0 110.459 174.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.38 -48.17 77.43 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.131 0.878 . . . . 6.0 112.867 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -68.09 -44.22 76.74 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.18 -0.914 . . . . 6.0 112.462 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.87 -45.78 90.94 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.838 1.199 . . . . 6.0 110.597 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.63 -58.47 6.27 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.199 0.999 . . . . 6.0 110.663 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.9 t -60.23 -40.05 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 113.398 0.888 . . . . 6.0 113.398 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.72 -38.06 77.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.794 0.725 . . . . 6.0 111.61 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.11 -44.51 79.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.635 0.652 . . . . 6.0 110.541 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.63 -44.02 76.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.708 0.403 . . . . 6.0 110.924 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -64.63 -57.48 8.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.929 0.491 . . . . 6.0 111.069 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.44 -37.12 62.28 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.073 1.138 . . . . 6.0 114.073 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -55.98 -54.06 49.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.515 0.726 . . . . 6.0 111.05 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -71.47 -35.46 70.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.511 0.724 . . . . 6.0 111.707 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 10.1 t -61.04 -39.74 90.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 119.615 1.098 . . . . 6.0 111.705 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? . . . . . 0 CA--C 1.547 0.841 0 O-C-N 120.937 -1.102 . . . . 6.0 110.678 174.257 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.554 1.098 0 CA-C-O 119.095 -0.479 . . . . 6.0 111.464 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -44.09 -30.67 3.49 Favored 'Trans proline' 0 CA--C 1.54 0.821 1 C-N-CA 126.039 4.493 . . . . 6.0 118.337 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -131.36 22.74 4.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.955 1.302 . . . . 6.0 113.027 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . 0.421 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.13 -48.56 67.81 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.202 -0.936 . . . . 6.0 112.298 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -33.94 73.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.994 0.918 . . . . 6.0 112.896 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 71.0 m -63.4 -50.06 71.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.704 1.201 . . . . 6.0 108.76 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -44.85 83.84 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 6.0 111.67 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . 0.421 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 44.5 mttp -55.9 -43.63 77.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.694 1.134 . . . . 6.0 111.626 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -65.01 -43.47 92.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.43 0.692 . . . . 6.0 111.809 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.26 -41.77 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.812 0.845 . . . . 6.0 110.655 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.41 -49.47 69.11 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.053 1.341 . . . . 6.0 111.959 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -62.02 -38.89 90.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.209 0.458 . . . . 6.0 111.675 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -59.73 -49.49 77.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.301 -0.629 . . . . 6.0 109.301 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.4 mtp -53.32 -38.17 62.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.033 1.333 . . . . 6.0 111.465 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 108.032 -1.099 . . . . 6.0 108.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.29 -41.84 60.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.334 1.605 . . . . 6.0 115.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -80.15 -29.45 38.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.976 1.102 . . . . 6.0 113.976 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.27 -65.08 0.67 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.177 1.391 . . . . 6.0 112.497 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.8 70.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 66.6 m -70.06 -44.75 68.49 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.993 -0.442 . . . . 6.0 111.729 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.6 m -59.92 -47.56 85.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.563 1.145 . . . . 6.0 111.43 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -49.04 -38.34 23.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.584 1.954 . . . . 6.0 112.325 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -82.54 -43.78 16.7 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.461 1.104 . . . . 6.0 112.152 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.2 tt -55.66 -45.71 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.817 1.247 . . . . 6.0 113.701 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 16.9 mt -57.34 -47.99 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.47 1.508 . . . . 6.0 111.486 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.1 m -56.18 -27.18 53.46 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.517 1.303 . . . . 6.0 114.517 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.38 -61.85 1.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.146 0.885 . . . . 6.0 110.829 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -55.66 -37.48 68.33 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.229 1.412 . . . . 6.0 113.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -65.68 -9.95 32.0 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.884 1.274 . . . . 6.0 114.055 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -133.44 -27.52 1.55 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.202 1.927 . . . . 6.0 116.202 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.73 147.08 53.81 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 120.165 1.348 . . . . 6.0 113.703 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.1 p -138.29 -6.03 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.333 1.853 . . . . 6.0 113.928 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.41 117.31 5.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.319 1.448 . . . . 6.0 111.073 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -67.9 -7.95 32.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -126.84 15.58 7.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.843 1.257 . . . . 6.0 113.256 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.3 t -56.53 125.66 67.5 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 107.137 -1.431 . . . . 6.0 107.137 173.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.78 -43.21 32.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.188 1.925 . . . . 6.0 112.0 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.19 -53.51 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.324 1.05 . . . . 6.0 111.048 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.649 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.5 m -68.45 -28.36 66.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.102 1.519 . . . . 6.0 115.102 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.0 tp -42.42 -54.11 8.36 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 121.308 1.867 . . . . 6.0 114.933 -174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.93 -35.82 97.94 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 CA-C-N 122.387 1.888 . . . . 6.0 113.368 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.15 -36.3 72.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.475 1.489 . . . . 6.0 111.284 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.649 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.0 mttt -71.36 -24.05 62.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.162 1.785 . . . . 6.0 110.321 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.1 -34.39 26.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.435 1.494 . . . . 6.0 110.08 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.879 0 C-N-CA 126.126 1.77 . . . . 6.0 107.489 169.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 CA--C 1.542 0.66 0 N-CA-C 109.32 -0.622 . . . . 6.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.62 161.15 10.32 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.69 2.26 . . . . 6.0 113.692 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -63.86 109.57 1.8 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.111 1.764 . . . . 6.0 113.721 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.54 123.53 62.71 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 126.138 1.775 . . . . 6.0 111.188 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.66 128.94 25.41 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.338 2.692 . . . . 6.0 113.343 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -54.13 -35.92 62.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.367 1.247 . . . . 6.0 114.367 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.8 -27.72 63.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.178 0.991 . . . . 6.0 112.658 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.17 -38.11 13.72 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -60.74 -24.45 65.73 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.31 1.414 . . . . 6.0 112.772 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.64 -23.07 65.31 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.465 1.906 . . . . 6.0 113.186 174.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 53.7 mt -66.25 131.52 46.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.143 0.977 . . . . 6.0 110.71 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -73.2 114.14 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.345 -0.983 . . . . 6.0 108.345 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -1.03 57.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.125 1.77 . . . . 6.0 115.262 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.56 -45.56 99.66 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 120.22 1.373 . . . . 6.0 112.946 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -61.58 -37.23 71.35 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.236 1.958 . . . . 6.0 111.825 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -18.45 61.17 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.84 -24.56 16.07 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.27 1.395 . . . . 6.0 114.378 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 15.9 pt -64.62 -28.51 44.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 119.241 0.928 . . . . 6.0 111.77 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.06 -9.92 54.26 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.902 2.081 . . . . 6.0 114.179 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -43.0 -26.58 0.15 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 118.0 2.592 . . . . 6.0 118.0 -171.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -148.97 41.39 0.92 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.049 1.295 . . . . 6.0 111.868 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.5 m -125.56 22.46 7.62 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.701 1.371 . . . . 6.0 114.701 -174.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.3 t -143.35 155.04 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.174 0.99 . . . . 6.0 111.973 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -122.78 81.43 1.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.311 1.844 . . . . 6.0 109.04 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.22 -40.51 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.481 1.912 . . . . 6.0 113.055 -173.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.31 -19.86 27.63 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.49 1.663 . . . . 6.0 115.49 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -97.69 -23.74 15.81 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.61 1.337 . . . . 6.0 114.61 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -42.92 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.72 1.208 . . . . 6.0 111.813 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 21.4 tpp . . . . . 0 CA--C 1.549 0.937 0 C-N-CA 126.205 1.802 . . . . 6.0 113.053 -175.537 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 CA--C 1.555 1.139 0 N-CA-C 115.662 1.727 . . . . 6.0 115.662 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.97 -38.95 32.25 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.856 3.704 . . . . 6.0 115.57 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.28 -50.87 50.69 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.832 0.853 . . . . 6.0 111.197 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -62.03 -44.88 95.76 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.064 0.945 . . . . 6.0 111.085 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -50.89 -42.77 59.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.406 1.482 . . . . 6.0 111.371 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.51 -40.89 89.43 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.676 0.671 . . . . 6.0 112.413 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.89 -50.11 75.25 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.942 1.09 . . . . 6.0 113.942 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -41.99 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 120.043 1.292 . . . . 6.0 111.038 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.84 -47.41 74.17 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.58 1.082 . . . . 6.0 112.26 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.85 -47.05 82.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.651 1.18 . . . . 6.0 111.994 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.92 -43.43 95.94 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.741 1.155 . . . . 6.0 111.31 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.56 -55.79 27.86 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.683 0.793 . . . . 6.0 110.325 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.1 -39.62 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.951 0.722 . . . . 6.0 112.951 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.98 -40.95 90.88 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.811 0.732 . . . . 6.0 111.502 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.931 0.787 . . . . 6.0 110.377 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.74 -44.77 77.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.05 0.54 . . . . 6.0 111.339 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -62.59 -59.98 4.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.761 0.424 . . . . 6.0 110.337 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.29 -40.43 61.79 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.255 1.576 . . . . 6.0 115.255 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.91 -51.88 67.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.893 0.77 . . . . 6.0 111.754 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -69.92 -33.42 72.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.323 0.649 . . . . 6.0 111.443 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.62 -33.95 77.14 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.532 -0.73 . . . . 6.0 111.238 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 CA--C 1.548 0.892 0 O-C-N 119.973 -1.704 . . . . 6.0 109.603 174.408 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.552 1.035 0 N-CA-C 112.382 0.512 . . . . 6.0 112.382 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -46.15 -32.67 10.52 Favored 'Trans proline' 0 C--N 1.354 0.834 1 C-N-CA 125.696 4.264 . . . . 6.0 117.224 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -123.77 18.86 9.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.174 1.39 . . . . 6.0 113.89 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.82 -49.46 68.32 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.526 0.679 . . . . 6.0 110.497 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -31.64 72.88 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 24.2 m -66.16 -51.33 58.83 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.734 1.214 . . . . 6.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -46.54 85.74 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.833 1.253 . . . . 6.0 111.471 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -56.5 -41.63 76.98 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.68 1.127 . . . . 6.0 112.055 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -64.73 -43.8 92.24 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.268 0.627 . . . . 6.0 111.793 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.75 -38.74 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.108 0.963 . . . . 6.0 111.164 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.02 -50.08 51.98 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 125.261 1.425 . . . . 6.0 111.692 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -59.25 -35.97 74.66 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 122.234 0.214 . . . . 6.0 111.423 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.62 -51.91 63.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.774 -0.579 . . . . 6.0 109.527 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.0 mtp -53.82 -34.52 59.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.896 1.278 . . . . 6.0 113.143 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 114.09 1.144 . . . . 6.0 114.09 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 107.935 -1.135 . . . . 6.0 107.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.42 -38.93 66.84 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.469 2.026 . . . . 6.0 116.469 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -88.1 -26.59 22.43 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.119 1.155 . . . . 6.0 114.119 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.15 -63.23 1.22 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.527 1.931 . . . . 6.0 113.7 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.05 87.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.562 0.578 . . . . 6.0 112.562 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 70.3 m -65.8 -46.25 79.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.395 0.278 . . . . 6.0 111.568 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.3 m -57.34 -45.54 84.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.728 1.211 . . . . 6.0 111.564 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -36.27 26.28 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.901 1.68 . . . . 6.0 112.9 176.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -89.97 -41.12 11.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.943 1.297 . . . . 6.0 112.04 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.51 -40.56 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.02 0.928 . . . . 6.0 112.715 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 46.8 mt -60.3 -48.69 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.522 1.529 . . . . 6.0 110.223 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 m -59.19 -25.03 63.61 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.009 1.485 . . . . 6.0 115.009 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -69.18 -54.39 15.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.986 1.266 . . . . 6.0 111.32 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -59.52 -30.58 68.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.009 0.924 . . . . 6.0 112.61 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.49 -15.76 63.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.035 1.334 . . . . 6.0 114.558 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.16 -24.79 2.06 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.899 2.185 . . . . 6.0 116.899 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.26 103.27 1.91 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 120.221 1.373 . . . . 6.0 113.338 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 38.1 p -87.52 -8.16 56.72 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.056 1.342 . . . . 6.0 113.147 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -62.1 123.69 18.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.622 1.569 . . . . 6.0 112.99 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.76 -3.57 38.89 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.432 0.53 . . . . 6.0 112.432 173.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -125.79 10.23 7.69 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.318 1.599 . . . . 6.0 115.318 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.01 132.92 83.72 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.062 0.945 . . . . 6.0 108.97 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.22 -43.31 24.24 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.491 2.127 . . . . 6.0 111.661 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.92 -52.46 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.935 1.294 . . . . 6.0 111.157 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.654 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 89.9 m -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.216 1.562 . . . . 6.0 115.216 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -59.12 2.14 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 121.047 1.749 . . . . 6.0 114.228 -175.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.67 -40.03 87.69 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.222 1.948 . . . . 6.0 113.002 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.04 -41.6 81.85 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.492 1.496 . . . . 6.0 112.058 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.654 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.8 mttt -65.44 -25.95 67.74 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 6.0 110.634 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -81.18 -43.15 19.74 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.461 1.504 . . . . 6.0 109.976 173.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . 0.419 ' CB ' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 127.913 2.485 . . . . 6.0 114.249 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 119.032 -0.509 . . . . 6.0 112.359 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.75 157.07 24.94 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.927 2.418 . . . . 6.0 112.417 175.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.05 111.35 2.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.315 1.046 . . . . 6.0 112.969 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.82 124.01 34.1 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.138 2.175 . . . . 6.0 109.767 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -49.66 124.96 13.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.453 2.768 . . . . 6.0 113.291 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -50.05 -38.09 36.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.083 1.353 . . . . 6.0 114.281 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.22 -26.34 65.66 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.542 1.137 . . . . 6.0 113.04 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.05 -25.92 20.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.656 1.183 . . . . 6.0 112.347 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -56.95 -35.34 69.0 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 119.927 1.24 . . . . 6.0 112.213 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.49 -16.32 62.9 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 27.9 mt -67.34 138.66 56.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.719 1.145 . . . . 6.0 112.354 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 101.87 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.502 0.721 . . . . 6.0 110.223 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 3.0 p -88.27 -9.66 52.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.959 1.304 . . . . 6.0 114.082 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.8 -46.28 99.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 119.934 1.243 . . . . 6.0 113.913 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -23.2 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 CA-C-N 121.557 1.592 . . . . 6.0 111.167 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.8 mtt -66.28 -17.36 64.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.076 0.95 . . . . 6.0 112.934 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -52.09 -24.73 7.31 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.382 1.253 . . . . 6.0 114.382 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -64.49 -28.92 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.11 0.868 . . . . 6.0 112.318 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -82.89 -12.94 56.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.719 1.607 . . . . 6.0 114.092 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 39.0 tpt85 -48.76 -26.16 2.21 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.808 2.151 . . . . 6.0 116.808 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -138.42 33.6 2.29 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.8 1.24 . . . . 6.0 111.707 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 21.57 4.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.217 1.562 . . . . 6.0 115.217 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -145.76 153.1 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.127 0.971 . . . . 6.0 112.467 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -119.77 86.29 2.53 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.147 2.179 . . . . 6.0 107.82 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.97 -37.14 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.275 1.43 . . . . 6.0 112.949 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 435' ' ' ALA . 43.0 mt-10 -95.3 -19.9 19.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.481 2.03 . . . . 6.0 116.481 -176.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.62 -21.15 19.57 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.419 1.463 . . . . 6.0 114.736 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -41.89 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.638 1.575 . . . . 6.0 112.43 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 54.4 mmm . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 129.214 3.006 . . . . 6.0 115.921 -169.859 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 118.803 -0.618 . . . . 6.0 111.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.61 -42.26 63.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.0 3.133 . . . . 6.0 114.874 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.76 -45.94 73.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.755 0.822 . . . . 6.0 111.576 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -61.08 -47.35 86.71 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.666 -0.646 . . . . 6.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.42 -42.83 64.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.079 1.352 . . . . 6.0 110.961 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -62.29 -44.97 95.29 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.878 0.871 . . . . 6.0 111.483 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.01 -50.43 73.43 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.878 1.436 . . . . 6.0 114.878 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 120.413 1.461 . . . . 6.0 111.13 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.04 -44.88 79.23 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.435 1.016 . . . . 6.0 111.666 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -65.36 -48.26 73.57 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.624 1.17 . . . . 6.0 112.479 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.181 1.355 . . . . 6.0 110.759 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.34 -56.54 19.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.498 0.719 . . . . 6.0 110.348 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.12 -39.2 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 113.276 0.843 . . . . 6.0 113.276 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.48 -40.15 90.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.98 0.809 . . . . 6.0 111.521 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.33 -44.85 86.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.89 0.768 . . . . 6.0 110.371 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 61.5 mt -57.75 -37.88 74.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.744 0.818 . . . . 6.0 111.957 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -68.04 -57.44 6.13 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.924 0.489 . . . . 6.0 109.738 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.82 -37.95 64.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.355 1.613 . . . . 6.0 115.355 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -58.23 -59.5 5.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.467 1.031 . . . . 6.0 111.064 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.95 -31.83 71.85 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.766 -0.584 . . . . 6.0 111.805 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.8 -36.46 83.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 119.237 0.926 . . . . 6.0 110.955 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 . . . . . 0 CA--C 1.545 0.779 0 O-C-N 120.167 -1.583 . . . . 6.0 112.226 174.819 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 112.535 0.569 . . . . 6.0 112.535 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -44.3 -31.88 4.72 Favored 'Trans proline' 0 C--N 1.356 0.923 1 C-N-CA 126.077 4.518 . . . . 6.0 118.046 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -130.36 23.02 5.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.726 1.21 . . . . 6.0 113.846 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.99 -48.09 70.74 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.426 -0.796 . . . . 6.0 111.248 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -34.33 74.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.33 1.052 . . . . 6.0 112.755 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 50.9 m -64.42 -50.16 68.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.395 1.078 . . . . 6.0 109.036 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -63.47 -44.97 92.88 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.513 1.125 . . . . 6.0 112.402 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -57.97 -44.28 86.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.537 1.135 . . . . 6.0 111.372 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.75 -39.97 88.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.249 0.62 . . . . 6.0 111.987 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.63 -45.12 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.256 1.022 . . . . 6.0 110.709 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.07 -45.8 87.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.957 1.303 . . . . 6.0 111.616 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.19 -43.79 92.2 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.862 -0.524 . . . . 6.0 110.834 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -60.01 -53.29 59.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.647 0.779 . . . . 6.0 110.51 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.1 mtp -51.8 -36.21 46.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.13 1.772 . . . . 6.0 113.213 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 124.578 1.151 . . . . 6.0 113.288 179.489 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 122.069 0.938 . . . . 6.0 108.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.31 41.48 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.849 1.426 . . . . 6.0 114.849 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -83.93 -19.18 35.14 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.215 1.191 . . . . 6.0 114.215 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 28.4 t -67.11 -65.79 0.64 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.344 1.429 . . . . 6.0 112.126 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.18 -34.15 70.02 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.375 0.88 . . . . 6.0 113.375 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 17.9 p -68.85 -52.48 29.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.313 0.506 . . . . 6.0 111.014 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.6 m -53.49 -45.87 69.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.468 1.107 . . . . 6.0 112.564 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -52.86 -36.25 58.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.805 1.242 . . . . 6.0 112.837 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -85.06 -42.6 14.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.131 0.972 . . . . 6.0 112.253 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.01 -41.42 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.75 1.22 . . . . 6.0 113.653 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.91 -47.64 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.622 1.569 . . . . 6.0 110.335 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.4 m -58.07 -23.42 54.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.5 1.667 . . . . 6.0 115.5 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -69.3 -54.88 12.35 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.457 1.48 . . . . 6.0 111.209 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -61.72 -28.82 69.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.695 0.798 . . . . 6.0 112.729 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.31 -11.51 60.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.332 1.234 . . . . 6.0 114.332 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -130.06 -32.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.701 1.741 . . . . 6.0 115.701 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.9 t -69.56 148.44 49.42 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.638 1.108 . . . . 6.0 113.063 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -140.22 -14.26 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.73 1.612 . . . . 6.0 114.455 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -61.59 119.62 9.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.664 1.186 . . . . 6.0 112.241 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -61.68 -9.92 7.38 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.154 2.279 . . . . 6.0 117.154 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -126.94 16.25 7.36 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.761 1.164 . . . . 6.0 113.667 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.2 t -52.52 125.97 37.67 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 125.573 1.549 . . . . 6.0 110.504 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -52.69 -22.43 17.29 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.681 3.587 . . . . 6.0 116.48 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 30.2 t -114.65 -39.17 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.611 1.164 . . . . 6.0 111.102 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.682 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 95.6 m -72.66 -26.87 61.79 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.256 -1.528 . . . . 6.0 113.622 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -39.88 -58.25 2.26 Favored Pre-proline 0 N--CA 1.474 0.774 0 CA-C-N 120.541 1.518 . . . . 6.0 114.342 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.64 -32.98 97.9 Favored 'Trans proline' 0 C--N 1.35 0.638 0 CA-C-N 121.717 1.649 . . . . 6.0 113.173 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.7 -45.44 52.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.485 1.493 . . . . 6.0 110.842 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.682 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.0 mttt -59.91 -27.27 66.6 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.364 1.465 . . . . 6.0 110.695 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -84.01 -43.38 15.21 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.583 1.953 . . . . 6.0 110.751 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 126.542 1.937 . . . . 6.0 112.409 174.772 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 119.34 -0.362 . . . . 6.0 111.373 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.44 155.94 23.68 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.637 2.891 . . . . 6.0 111.093 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.67 103.46 2.13 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.793 -1.192 . . . . 6.0 113.822 -178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 tt -33.95 130.55 0.41 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 130.029 3.331 . . . . 6.0 111.925 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -54.27 126.99 24.0 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.538 2.159 . . . . 6.0 113.297 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -47.01 -41.85 17.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.349 1.86 . . . . 6.0 115.016 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.67 -27.76 67.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.075 0.95 . . . . 6.0 113.205 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 35.0 mt -90.02 -22.88 21.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.658 1.183 . . . . 6.0 113.132 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -55.39 -38.5 68.95 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 120.376 1.444 . . . . 6.0 111.985 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.17 -12.41 61.47 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.114 1.765 . . . . 6.0 114.672 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.39 133.91 46.28 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.422 1.01 . . . . 6.0 111.294 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -73.25 107.49 5.6 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.8 p -88.92 -10.39 47.99 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.17 1.388 . . . . 6.0 114.397 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.93 -44.88 99.72 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 120.37 1.441 . . . . 6.0 113.467 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -62.01 -35.06 78.79 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.487 2.125 . . . . 6.0 112.072 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.4 mtt -63.87 -17.25 62.98 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.548 1.139 . . . . 6.0 113.521 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.46 -22.62 8.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.048 1.129 . . . . 6.0 114.048 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.18 -29.82 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.193 0.906 . . . . 6.0 112.028 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -85.46 -11.72 53.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.192 1.797 . . . . 6.0 114.42 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -49.81 -25.98 3.55 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 117.398 2.37 . . . . 6.0 117.398 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -136.42 32.35 2.82 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.428 1.491 . . . . 6.0 111.399 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.4 m -129.91 18.73 5.58 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.242 1.571 . . . . 6.0 115.242 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -144.82 146.05 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.023 0.929 . . . . 6.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -115.95 86.83 2.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.977 1.711 . . . . 6.0 107.13 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.23 -38.84 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.854 1.662 . . . . 6.0 112.819 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.03 -19.97 29.52 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.259 1.948 . . . . 6.0 116.259 -178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -95.69 -21.59 18.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.673 1.36 . . . . 6.0 114.673 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -38.7 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.696 1.198 . . . . 6.0 110.856 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 10.3 tpp . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.147 1.779 . . . . 6.0 112.803 -178.004 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.428 -0.582 . . . . 6.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.21 -43.08 38.39 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 124.678 3.585 . . . . 6.0 116.224 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.94 -48.65 43.81 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.858 -0.526 . . . . 6.0 112.223 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.668 -0.645 . . . . 6.0 110.008 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -46.42 54.98 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.722 1.609 . . . . 6.0 111.615 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -72.0 -33.35 68.03 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.18 1.355 . . . . 6.0 113.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.44 -49.1 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.895 1.68 . . . . 6.0 113.016 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.98 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 119.901 1.228 . . . . 6.0 111.166 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -54.06 -48.69 70.34 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.31 1.414 . . . . 6.0 112.003 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.41 -46.92 78.1 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.609 1.564 . . . . 6.0 112.043 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.11 -43.92 97.1 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.713 1.142 . . . . 6.0 110.948 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.22 -56.17 22.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.422 0.689 . . . . 6.0 110.077 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.83 -38.51 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 113.491 0.923 . . . . 6.0 113.491 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.98 -38.5 82.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.055 0.843 . . . . 6.0 111.514 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.11 -43.97 90.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 6.0 110.371 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.39 -46.93 76.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.276 0.631 . . . . 6.0 111.106 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.05 -61.42 2.58 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.161 0.584 . . . . 6.0 110.286 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.81 61.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.354 1.462 . . . . 6.0 114.468 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -60.31 -54.12 49.48 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.415 1.007 . . . . 6.0 111.718 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -64.34 -37.5 87.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.499 -0.75 . . . . 6.0 111.574 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.14 -37.87 86.83 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.675 0.79 . . . . 6.0 110.93 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 124.395 1.078 . . . . 6.0 109.668 174.092 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.253 0 CA-C-O 118.863 -0.589 . . . . 6.0 110.5 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_exo -35.36 -35.11 0.12 Allowed 'Trans proline' 0 CA--C 1.541 0.825 1 C-N-CA 126.625 4.884 . . . . 6.0 121.52 -176.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.73 19.97 6.62 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.01 1.485 . . . . 6.0 115.01 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 13.0 t -52.36 -51.8 56.89 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.172 0.989 . . . . 6.0 111.335 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.55 -35.34 77.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.699 1.2 . . . . 6.0 113.057 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.9 m -63.51 -49.41 73.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.226 1.01 . . . . 6.0 109.455 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.1 mmt -66.33 -46.06 78.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.623 1.169 . . . . 6.0 112.25 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -54.53 -44.97 73.26 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.091 1.314 . . . . 6.0 111.51 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.77 -44.24 97.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.719 0.808 . . . . 6.0 112.198 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -36.87 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.178 0.991 . . . . 6.0 111.736 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.38 -49.3 56.64 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 124.794 1.237 . . . . 6.0 111.434 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.08 -32.83 72.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 111.819 0.303 . . . . 6.0 111.819 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -65.88 -50.95 62.67 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.482 -0.761 . . . . 6.0 109.375 173.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 67.1 mtp -52.85 -33.57 50.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.871 1.269 . . . . 6.0 112.801 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 114.686 1.365 . . . . 6.0 114.686 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 107.001 -1.481 . . . . 6.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.38 -34.69 11.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.227 1.936 . . . . 6.0 116.227 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.01 -24.25 21.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.656 1.354 . . . . 6.0 114.656 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 23.2 t -58.48 -67.37 0.36 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.321 1.449 . . . . 6.0 113.328 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.41 67.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.724 0.639 . . . . 6.0 112.724 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 63.0 m -67.13 -48.08 69.17 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.178 -0.327 . . . . 6.0 111.682 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -59.66 -47.07 87.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.601 1.16 . . . . 6.0 111.904 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -50.14 -37.88 36.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.295 1.838 . . . . 6.0 112.413 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -83.36 -43.26 16.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.415 1.086 . . . . 6.0 112.377 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.75 -39.11 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 120.962 -1.086 . . . . 6.0 113.515 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.355 1.462 . . . . 6.0 110.768 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.4 m -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.524 1.305 . . . . 6.0 114.524 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -68.1 -59.86 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.261 0.937 . . . . 6.0 110.898 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -57.72 -33.95 68.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.75 1.22 . . . . 6.0 113.31 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -63.0 -13.48 35.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.776 1.231 . . . . 6.0 114.052 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -133.92 -30.85 1.19 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.377 1.992 . . . . 6.0 116.377 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.42 136.98 57.98 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.855 1.207 . . . . 6.0 114.02 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 14.4 t -138.49 10.21 2.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.908 1.683 . . . . 6.0 113.18 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -67.29 118.89 11.28 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.262 1.425 . . . . 6.0 110.16 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -63.88 -8.94 12.54 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.006 1.854 . . . . 6.0 116.006 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -129.75 19.75 5.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.309 1.444 . . . . 6.0 113.067 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 52.7 t -54.24 124.31 46.0 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.411 -0.959 . . . . 6.0 108.411 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.78 -28.07 59.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.007 1.805 . . . . 6.0 112.327 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.97 -46.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 117.897 -1.049 . . . . 6.0 110.711 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.679 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 85.4 m -74.08 -29.6 61.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 121.072 1.76 . . . . 6.0 114.922 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.1 tp -40.87 -53.37 6.11 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-N 122.179 2.263 . . . . 6.0 115.318 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -59.44 -35.51 96.02 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-N 121.813 1.683 . . . . 6.0 112.879 176.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.39 -42.01 62.66 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.082 1.31 . . . . 6.0 111.861 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.679 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 13.9 mttm -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.219 -1.03 . . . . 6.0 108.219 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -65.82 -45.39 82.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.882 1.273 . . . . 6.0 111.666 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 126.537 1.935 . . . . 6.0 113.127 177.098 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 112.876 0.695 . . . . 6.0 112.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -51.98 159.21 4.05 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 123.545 2.83 . . . . 6.0 112.232 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.38 107.43 0.57 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.445 1.498 . . . . 6.0 113.615 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.69 122.77 35.0 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.468 1.907 . . . . 6.0 110.813 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -51.52 124.06 13.5 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.475 2.783 . . . . 6.0 113.041 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -50.85 -37.39 42.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.588 1.329 . . . . 6.0 114.588 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.37 -26.84 66.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.781 0.833 . . . . 6.0 112.679 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.07 -28.04 19.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.809 1.243 . . . . 6.0 112.703 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -55.15 -38.28 68.05 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.855 1.207 . . . . 6.0 112.147 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.83 -11.38 60.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.061 1.344 . . . . 6.0 114.402 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 29.0 mt -69.52 139.97 53.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.786 1.176 . . . . 6.0 112.096 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -74.23 101.22 3.93 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.769 0.827 . . . . 6.0 109.973 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.1 p -86.95 -9.56 55.34 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.92 1.288 . . . . 6.0 113.891 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.24 -45.76 99.21 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.986 1.266 . . . . 6.0 114.219 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.22 -23.82 20.63 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 CA-C-N 121.835 1.691 . . . . 6.0 110.941 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 28.6 mtt -66.25 -16.87 64.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.225 1.01 . . . . 6.0 112.957 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.93 -22.05 3.55 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -70.01 -27.64 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.047 0.84 . . . . 6.0 112.517 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.33 -12.6 54.3 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.898 1.679 . . . . 6.0 113.987 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -47.22 -22.1 0.35 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 117.85 2.537 . . . . 6.0 117.85 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.41 32.84 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.044 1.737 . . . . 6.0 111.832 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.4 m -129.06 20.32 5.88 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.0 t -143.62 152.91 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.949 0.9 . . . . 6.0 112.642 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -119.55 84.01 2.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.031 2.132 . . . . 6.0 108.372 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.55 -40.83 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.896 1.678 . . . . 6.0 112.962 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -88.01 -19.91 26.54 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.536 1.68 . . . . 6.0 115.536 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -96.57 -25.09 15.74 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.746 1.387 . . . . 6.0 114.746 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -44.13 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.944 1.297 . . . . 6.0 111.518 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 26.4 tpp . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 126.798 2.039 . . . . 6.0 114.297 -174.295 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 109.078 -0.712 . . . . 6.0 109.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.79 -38.89 85.55 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.904 3.069 . . . . 6.0 115.302 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.21 -45.39 60.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.287 -0.883 . . . . 6.0 111.591 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -62.91 -45.75 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.743 -0.598 . . . . 6.0 109.932 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -50.29 -49.35 53.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.57 1.548 . . . . 6.0 110.859 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -57.54 -31.68 66.34 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.306 1.043 . . . . 6.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.57 -51.2 15.24 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.969 -1.015 . . . . 6.0 112.51 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.46 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.647 1.112 . . . . 6.0 110.539 174.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -55.8 -49.99 71.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.83 1.196 . . . . 6.0 112.095 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.3 -40.9 70.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 117.809 -1.091 . . . . 6.0 113.163 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -62.51 -43.28 99.19 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.532 1.514 . . . . 6.0 110.33 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.47 -57.63 11.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.759 0.824 . . . . 6.0 110.353 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 30.4 t -58.27 -40.02 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.469 0.914 . . . . 6.0 113.469 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.83 -36.82 75.16 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.736 0.698 . . . . 6.0 112.14 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.09 -43.77 73.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.774 0.715 . . . . 6.0 110.494 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.86 -41.54 70.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.073 0.549 . . . . 6.0 110.869 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.38 -59.53 2.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.158 0.583 . . . . 6.0 111.092 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.11 -37.95 49.01 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.5 1.296 . . . . 6.0 114.5 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -59.81 -59.04 6.07 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.116 0.871 . . . . 6.0 111.468 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -65.1 -30.36 71.29 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.54 -0.725 . . . . 6.0 112.678 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.7 t -64.67 -43.8 92.4 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.971 0.908 . . . . 6.0 110.571 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? . . . . . 0 CA--C 1.546 0.815 0 O-C-N 120.886 -1.134 . . . . 6.0 110.795 174.577 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 112.413 0.523 . . . . 6.0 112.413 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -45.43 -30.17 5.48 Favored 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 125.861 4.374 . . . . 6.0 117.682 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.74 20.91 6.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.239 1.416 . . . . 6.0 113.727 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.35 -49.35 69.96 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.335 -0.853 . . . . 6.0 111.185 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -35.32 80.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.041 0.936 . . . . 6.0 112.76 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -60.49 -50.96 71.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.667 1.187 . . . . 6.0 109.087 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.48 80.96 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.391 1.076 . . . . 6.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -56.4 -41.79 76.89 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.814 1.188 . . . . 6.0 111.926 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -63.74 -43.97 94.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.363 0.665 . . . . 6.0 111.514 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.91 -41.38 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.153 0.981 . . . . 6.0 111.217 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.7 -46.95 77.08 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.918 1.687 . . . . 6.0 112.416 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.64 -44.41 97.02 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.977 -0.452 . . . . 6.0 110.134 174.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -56.18 -54.48 44.75 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.451 0.569 . . . . 6.0 110.121 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 58.8 mtp -49.94 -37.37 31.65 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.437 1.895 . . . . 6.0 113.391 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.354 1.062 . . . . 6.0 113.309 -179.062 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 108.426 -0.953 . . . . 6.0 108.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.27 48.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -84.18 -19.78 33.48 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.892 1.071 . . . . 6.0 113.892 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 21.7 t -66.6 -66.61 0.53 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.103 1.32 . . . . 6.0 111.529 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.7 -36.2 64.43 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.42 0.896 . . . . 6.0 113.42 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 18.7 p -70.14 -52.88 20.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.827 0.285 . . . . 6.0 111.339 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 75.3 m -53.14 -44.43 67.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.505 1.122 . . . . 6.0 112.342 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -52.79 -37.71 60.12 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.928 1.691 . . . . 6.0 112.579 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -84.12 -42.7 15.77 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.516 1.526 . . . . 6.0 112.35 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.24 -40.85 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.528 1.131 . . . . 6.0 113.289 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.46 -45.35 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.606 1.562 . . . . 6.0 110.11 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.1 m -58.45 -26.93 63.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.407 1.262 . . . . 6.0 114.407 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -69.26 -55.77 9.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.678 1.126 . . . . 6.0 110.798 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.0 t-105 -59.61 -31.84 69.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.605 1.162 . . . . 6.0 112.56 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -64.39 -14.16 55.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.478 1.511 . . . . 6.0 114.368 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -132.62 -29.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.291 1.96 . . . . 6.0 116.291 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.0 t -66.95 143.49 56.78 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.912 1.233 . . . . 6.0 113.638 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.4 p -136.98 -6.68 1.85 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.368 1.867 . . . . 6.0 113.418 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.67 117.24 6.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.904 1.682 . . . . 6.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -66.52 -8.91 29.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.543 1.683 . . . . 6.0 115.543 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -125.41 15.09 8.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.88 1.272 . . . . 6.0 113.475 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.61 126.48 70.63 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 106.887 -1.523 . . . . 6.0 106.887 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.03 -36.4 38.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.063 1.842 . . . . 6.0 112.698 -173.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 85.8 t -80.74 -47.73 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 118.414 -0.803 . . . . 6.0 110.446 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.682 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 97.6 m -70.78 -29.7 65.98 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.0 tp -42.3 -53.81 8.47 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 121.053 1.751 . . . . 6.0 114.97 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.41 -34.91 97.44 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 CA-C-N 122.172 1.811 . . . . 6.0 113.159 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.38 -41.94 65.77 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.482 1.492 . . . . 6.0 111.574 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.682 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 40.5 mttt -61.59 -40.89 96.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.714 1.206 . . . . 6.0 108.461 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.24 -41.4 81.22 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.516 1.126 . . . . 6.0 111.425 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 126.218 1.807 . . . . 6.0 113.358 177.119 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-O 118.944 -0.55 . . . . 6.0 111.925 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 158.89 11.7 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.195 2.597 . . . . 6.0 113.481 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.46 109.12 1.08 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.687 1.995 . . . . 6.0 114.177 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.45 123.46 43.62 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.397 1.479 . . . . 6.0 110.775 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.11 121.39 9.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.045 2.497 . . . . 6.0 111.801 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.57 -33.67 64.08 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.37 -27.43 69.31 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.615 -0.678 . . . . 6.0 112.178 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.11 -26.91 19.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.732 1.213 . . . . 6.0 111.702 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -58.82 -35.37 72.76 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.245 1.384 . . . . 6.0 110.835 174.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -64.69 -21.22 66.69 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.131 1.373 . . . . 6.0 114.147 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.01 133.69 48.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.137 0.881 . . . . 6.0 111.688 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -72.5 105.85 4.34 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.225 0.61 . . . . 6.0 109.434 175.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -85.76 -8.9 57.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.073 1.349 . . . . 6.0 114.35 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.17 -46.77 99.27 Favored Pre-proline 0 N--CA 1.478 0.938 0 CA-C-N 120.701 1.591 . . . . 6.0 113.668 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.4 -32.5 81.02 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.287 1.992 . . . . 6.0 112.344 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 39.1 mtt -64.88 -16.89 63.77 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.622 1.169 . . . . 6.0 113.655 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.12 -22.2 3.98 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.425 1.268 . . . . 6.0 114.425 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.78 -28.47 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 118.914 0.779 . . . . 6.0 112.44 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.35 -12.81 48.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.067 1.747 . . . . 6.0 114.383 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -47.44 -25.57 1.1 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 117.953 2.575 . . . . 6.0 117.953 -172.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.48 33.57 1.3 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.616 1.567 . . . . 6.0 111.793 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -126.41 20.93 7.3 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.79 156.95 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.593 1.157 . . . . 6.0 111.589 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -122.3 85.06 2.35 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.631 1.972 . . . . 6.0 107.995 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -47.54 -40.24 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.242 1.417 . . . . 6.0 112.663 -173.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -87.58 -19.93 27.13 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.12 1.896 . . . . 6.0 116.12 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -93.36 -25.09 17.86 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -42.54 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.704 1.202 . . . . 6.0 112.191 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.7 tpp . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 126.05 1.74 . . . . 6.0 114.154 -174.046 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 113.447 0.906 . . . . 6.0 113.447 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.87 -38.17 85.65 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.783 2.989 . . . . 6.0 115.053 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -69.85 -44.25 70.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 6.0 111.85 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -65.04 -46.51 80.96 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.354 -0.841 . . . . 6.0 110.3 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -52.78 -45.7 67.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.348 1.459 . . . . 6.0 110.082 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.6 -43.12 99.45 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.796 1.238 . . . . 6.0 111.805 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.55 -48.39 81.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -38.84 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.558 1.526 . . . . 6.0 110.634 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -57.8 -45.51 85.98 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.195 0.907 . . . . 6.0 112.127 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.68 -48.19 78.15 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.309 1.044 . . . . 6.0 111.736 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.41 -44.15 92.16 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.665 1.12 . . . . 6.0 111.143 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.23 -52.4 59.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.875 0.87 . . . . 6.0 110.687 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 21.2 t -65.59 -38.9 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.706 0.632 . . . . 6.0 112.706 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -39.29 85.9 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.374 0.988 . . . . 6.0 111.619 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.76 -45.4 82.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.821 0.737 . . . . 6.0 110.284 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.25 -46.07 79.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.948 0.499 . . . . 6.0 110.999 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . 0.585 ' CE1' ' HZ2' ' A' ' 365' ' ' LYS . 42.8 t60 -60.32 -57.72 11.56 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 122.745 0.418 . . . . 6.0 109.986 176.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.03 -33.33 67.09 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.986 1.106 . . . . 6.0 113.986 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -64.61 -54.75 26.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.685 1.129 . . . . 6.0 109.591 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . 0.585 ' HZ2' ' CE1' ' A' ' 362' ' ' HIS . 0.0 OUTLIER -53.04 -43.37 66.56 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.582 1.153 . . . . 6.0 111.047 173.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . 0.432 ' CB ' ' HZ3' ' A' ' 365' ' ' LYS . 1.8 t -70.86 -38.16 73.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.405 0.682 . . . . 6.0 111.275 -176.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.304 1.042 . . . . 6.0 110.229 173.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.558 1.255 0 CA-C-O 118.571 -0.728 . . . . 6.0 109.615 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -34.4 -36.05 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.856 1 C-N-CA 126.334 4.689 . . . . 6.0 121.578 -174.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -129.97 22.32 5.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.004 1.275 . . . . 6.0 114.096 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 7.7 t -51.28 -53.25 37.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.89 1.276 . . . . 6.0 111.385 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -35.41 74.93 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.613 1.165 . . . . 6.0 113.149 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.1 m -66.03 -50.9 62.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.818 0.847 . . . . 6.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 26.1 mmt -63.43 -42.63 98.7 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 123.427 0.691 . . . . 6.0 111.264 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.23 -42.34 81.22 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.644 1.111 . . . . 6.0 111.676 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -63.8 -43.49 96.12 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.985 0.514 . . . . 6.0 111.517 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.97 -41.43 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.991 0.916 . . . . 6.0 111.46 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.18 -46.22 71.28 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.684 1.594 . . . . 6.0 111.344 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.98 -41.35 96.25 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.773 -0.58 . . . . 6.0 110.067 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.94 -50.67 72.84 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.064 0.847 . . . . 6.0 110.439 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 61.8 mtp -52.93 -35.72 58.81 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.471 1.508 . . . . 6.0 112.088 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 125.013 1.325 . . . . 6.0 113.843 178.699 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 107.364 -1.347 . . . . 6.0 107.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.43 58.24 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.731 1.382 . . . . 6.0 114.731 -175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.74 -32.22 62.04 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.988 -1.006 . . . . 6.0 113.65 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.5 -64.24 0.99 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.273 1.429 . . . . 6.0 112.68 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.85 80.46 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.676 -0.64 . . . . 6.0 112.605 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -63.87 -47.97 78.56 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.622 0.369 . . . . 6.0 110.912 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.4 m -59.7 -46.18 89.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.354 1.462 . . . . 6.0 111.637 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -52.72 -42.62 65.03 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.926 0.891 . . . . 6.0 111.885 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -74.09 -44.18 54.95 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.524 0.73 . . . . 6.0 112.29 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.06 -43.23 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.526 1.131 . . . . 6.0 113.701 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.1 mt -55.17 -48.66 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.89 1.676 . . . . 6.0 110.761 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.3 m -57.47 -23.09 47.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.111 1.523 . . . . 6.0 115.111 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.25 -58.1 4.15 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.899 1.227 . . . . 6.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -61.44 -28.8 69.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.802 0.841 . . . . 6.0 112.561 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -63.78 -19.99 65.42 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.543 1.312 . . . . 6.0 114.543 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.54 -28.76 2.48 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.829 1.789 . . . . 6.0 115.829 -173.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . 0.424 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.4 t -67.94 149.59 49.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.481 1.037 . . . . 6.0 112.792 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 63.2 p -139.87 -24.87 0.82 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.843 1.423 . . . . 6.0 114.843 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.71 119.85 7.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.831 1.196 . . . . 6.0 112.905 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -63.01 -6.83 4.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.698 1.999 . . . . 6.0 116.093 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.95 7.35 13.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.845 1.658 . . . . 6.0 113.522 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.8 t -48.77 126.46 13.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.856 1.662 . . . . 6.0 113.133 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -52.7 -23.0 18.79 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.637 2.891 . . . . 6.0 116.122 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 8.8 t -116.17 -44.95 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 116.682 -1.628 . . . . 6.0 110.994 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.557 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 36.9 m -69.89 -23.31 63.23 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.726 2.057 . . . . 6.0 114.375 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.9 tp -39.28 -56.62 2.61 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 121.625 2.011 . . . . 6.0 114.458 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -58.61 -33.98 98.56 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.152 1.901 . . . . 6.0 114.008 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.6 mp -74.04 -42.62 59.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.016 1.735 . . . . 6.0 111.18 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.557 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 43.3 mttt -60.96 -37.14 81.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.758 1.223 . . . . 6.0 108.952 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.89 -49.71 49.52 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.085 1.354 . . . . 6.0 110.362 172.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 C-N-CA 127.007 2.123 . . . . 6.0 114.629 178.221 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -66.24 159.73 48.49 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.955 3.103 . . . . 6.0 109.432 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -78.8 106.81 11.06 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.966 -1.084 . . . . 6.0 113.665 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.4 tt -27.99 129.61 0.21 Allowed Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 131.247 3.819 . . . . 6.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -54.86 128.17 29.33 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.409 2.073 . . . . 6.0 113.562 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -47.8 -42.14 25.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.241 1.816 . . . . 6.0 115.141 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.24 -28.22 68.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.331 -0.856 . . . . 6.0 113.04 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 37.2 mt -89.36 -20.1 24.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.193 0.997 . . . . 6.0 112.618 175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.86 -34.12 67.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 120.504 1.502 . . . . 6.0 111.442 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -68.58 -17.19 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.227 1.811 . . . . 6.0 114.093 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.51 116.42 16.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.303 0.956 . . . . 6.0 109.848 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.52 115.38 10.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.803 -0.814 . . . . 6.0 108.803 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 22.5 p -81.1 -5.28 57.47 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.148 1.907 . . . . 6.0 116.148 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -53.46 -44.81 98.34 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-N 120.459 1.481 . . . . 6.0 114.175 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -63.29 -37.57 49.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.436 2.091 . . . . 6.0 111.578 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -17.12 62.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.401 1.08 . . . . 6.0 113.512 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -54.37 -22.93 13.61 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.401 1.455 . . . . 6.0 114.42 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.38 -26.48 40.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 119.411 1.005 . . . . 6.0 111.924 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -89.9 -10.02 46.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.99 2.116 . . . . 6.0 113.932 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -46.05 -24.17 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 118.092 2.627 . . . . 6.0 118.092 -171.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 32.37 1.52 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.361 1.464 . . . . 6.0 112.36 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 8.4 m -128.82 18.94 6.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.048 1.87 . . . . 6.0 116.048 -172.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.9 150.2 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.919 0.781 . . . . 6.0 112.452 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -116.73 86.43 2.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.826 2.05 . . . . 6.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.45 -36.91 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.724 1.21 . . . . 6.0 112.617 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -90.32 -19.95 23.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.643 2.09 . . . . 6.0 116.643 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.58 -16.49 16.74 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 120.423 1.465 . . . . 6.0 114.871 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -41.81 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.299 1.04 . . . . 6.0 110.914 175.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 CA--C 1.546 0.812 0 C-N-CA 126.589 1.955 . . . . 6.0 114.944 -173.778 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 50.1 t0 . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 119.257 -0.401 . . . . 6.0 110.451 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -50.84 -39.81 57.92 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.703 3.602 . . . . 6.0 114.905 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.42 -53.71 32.49 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.133 0.973 . . . . 6.0 111.164 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -40.62 93.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.719 0.808 . . . . 6.0 111.007 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -52.83 -50.35 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.052 1.741 . . . . 6.0 111.486 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -60.27 -34.47 73.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.717 0.807 . . . . 6.0 112.223 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.2 -50.62 60.2 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.781 -1.104 . . . . 6.0 112.786 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.21 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 120.396 1.453 . . . . 6.0 110.79 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.57 -51.75 58.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.406 1.003 . . . . 6.0 112.282 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.5 -39.23 77.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.064 -0.97 . . . . 6.0 113.206 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.54 -44.88 89.41 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.527 1.512 . . . . 6.0 110.799 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.52 -53.34 55.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.824 0.85 . . . . 6.0 110.154 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.84 -38.01 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.26 -39.77 91.57 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.487 1.04 . . . . 6.0 111.876 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.12 -44.99 94.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.898 0.772 . . . . 6.0 110.412 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.27 -45.28 88.18 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.559 0.744 . . . . 6.0 111.383 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.19 -57.67 11.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.346 0.521 . . . . 6.0 110.169 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.32 57.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.2 1.4 . . . . 6.0 114.069 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.8 -53.67 50.67 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.042 0.837 . . . . 6.0 110.919 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -60.39 -37.19 80.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.75 0.82 . . . . 6.0 111.575 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.6 -34.66 76.17 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.631 1.172 . . . . 6.0 111.541 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? . . . . . 0 CA--C 1.542 0.648 0 O-C-N 120.726 -1.234 . . . . 6.0 110.181 173.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 108.828 -0.805 . . . . 6.0 108.828 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -47.98 143.04 14.36 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.808 2.339 . . . . 6.0 113.675 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 58.67 8.76 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.687 2.106 . . . . 6.0 116.687 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 12.0 t -52.54 -45.18 66.24 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 120.768 1.622 . . . . 6.0 111.644 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -28.3 69.66 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 31.3 m -66.86 -48.54 68.52 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.101 1.36 . . . . 6.0 108.645 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -47.74 71.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 124.591 1.156 . . . . 6.0 111.664 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -53.32 -41.11 65.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.909 1.232 . . . . 6.0 112.099 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.22 -47.19 80.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.747 0.819 . . . . 6.0 111.769 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.06 -38.88 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.623 1.169 . . . . 6.0 111.843 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.4 -49.1 62.5 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 126.218 1.807 . . . . 6.0 112.451 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -59.75 -40.51 88.37 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 122.073 -0.392 . . . . 6.0 110.367 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.44 -53.72 54.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.446 0.698 . . . . 6.0 110.296 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.6 mtp -52.47 -34.98 51.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.961 1.704 . . . . 6.0 113.777 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 6.0 113.296 -179.307 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.3 t . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 108.818 -0.808 . . . . 6.0 108.818 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.97 56.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.322 1.971 . . . . 6.0 116.322 -174.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.91 -25.17 21.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.128 1.159 . . . . 6.0 114.128 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.5 t -56.56 -65.59 0.58 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.786 1.635 . . . . 6.0 113.6 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.41 75.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.014 0.525 . . . . 6.0 112.393 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 64.9 m -66.65 -47.26 73.11 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.229 -0.294 . . . . 6.0 111.522 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -58.31 -43.47 88.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.728 1.211 . . . . 6.0 112.22 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.35 -43.35 54.06 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.577 1.551 . . . . 6.0 112.029 176.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -83.62 -40.91 18.43 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.872 1.269 . . . . 6.0 112.46 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.09 -41.75 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.299 0.954 . . . . 6.0 112.065 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.23 -49.25 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.086 1.354 . . . . 6.0 109.838 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 51.8 m -56.92 -31.09 64.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.635 0.976 . . . . 6.0 113.635 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.82 -57.55 8.58 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.91 0.777 . . . . 6.0 110.618 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -55.98 -33.92 65.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.539 1.536 . . . . 6.0 112.874 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -67.48 -13.21 61.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -132.13 -23.33 2.2 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.567 2.062 . . . . 6.0 116.567 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . 0.419 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.0 t -62.77 148.25 47.38 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.152 1.342 . . . . 6.0 113.445 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.7 p -132.0 -14.67 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.63 1.572 . . . . 6.0 114.389 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -68.02 117.97 10.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.589 1.086 . . . . 6.0 110.779 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.0 -36.15 83.02 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 122.126 -0.359 . . . . 6.0 110.508 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.44 5.18 24.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.031 1.493 . . . . 6.0 115.031 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.84 125.45 39.09 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 107.392 -1.336 . . . . 6.0 107.392 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.22 -33.58 71.23 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.418 2.078 . . . . 6.0 112.28 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.35 -45.4 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 123.821 0.848 . . . . 6.0 111.169 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.721 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 96.3 m -73.94 -30.99 62.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.035 1.494 . . . . 6.0 115.035 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.6 tp -41.15 -52.9 6.92 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 120.898 1.681 . . . . 6.0 114.997 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -60.71 -34.84 91.42 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 122.089 1.782 . . . . 6.0 113.144 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.44 -40.9 66.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.341 1.428 . . . . 6.0 111.196 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.721 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 38.5 mttt -63.05 -31.45 72.6 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.131 1.372 . . . . 6.0 110.066 176.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.97 -47.48 44.98 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.677 1.191 . . . . 6.0 109.995 171.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 126.024 1.73 . . . . 6.0 113.707 179.79 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 118.626 -0.702 . . . . 6.0 110.726 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -55.29 160.25 8.92 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 122.922 2.415 . . . . 6.0 113.394 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.53 110.7 2.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.715 1.606 . . . . 6.0 114.184 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.48 121.28 59.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.111 1.764 . . . . 6.0 111.041 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.69 123.09 11.52 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.197 2.598 . . . . 6.0 112.773 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.55 -36.4 61.81 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.84 -25.2 67.1 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.014 0.925 . . . . 6.0 112.35 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.11 -28.62 18.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.664 1.186 . . . . 6.0 112.627 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -56.85 -37.87 71.88 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.024 1.284 . . . . 6.0 110.337 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -60.92 -27.78 68.44 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.753 2.021 . . . . 6.0 114.1 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.69 138.17 58.24 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.983 0.81 . . . . 6.0 112.884 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -75.36 103.41 5.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.642 0.777 . . . . 6.0 110.42 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.46 -7.42 56.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.027 1.331 . . . . 6.0 114.338 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.97 -46.81 99.5 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 120.209 1.368 . . . . 6.0 113.715 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.8 -22.37 23.76 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 121.593 1.605 . . . . 6.0 111.293 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 19.2 mtt -67.68 -17.14 64.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.441 1.096 . . . . 6.0 113.358 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.09 -22.67 2.57 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.724 1.379 . . . . 6.0 114.724 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 20.7 pt -67.14 -29.13 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 118.946 0.794 . . . . 6.0 112.77 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -81.53 -17.03 49.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.926 1.69 . . . . 6.0 114.707 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 -45.99 -18.4 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.879 2.871 . . . . 6.0 118.629 -174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.13 30.7 1.04 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.195 1.398 . . . . 6.0 111.972 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.9 m -131.31 10.33 4.86 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.857 2.169 . . . . 6.0 116.857 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.8 127.11 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 114.288 1.218 . . . . 6.0 114.288 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -87.51 85.96 7.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.576 1.55 . . . . 6.0 109.855 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.6 mt -47.87 -38.04 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.94 1.296 . . . . 6.0 112.694 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -90.07 -19.68 24.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.906 1.817 . . . . 6.0 115.906 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.01 -16.58 16.42 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.167 1.543 . . . . 6.0 115.167 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -44.39 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.406 1.082 . . . . 6.0 111.25 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.1 tpp . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 126.567 1.947 . . . . 6.0 114.993 -172.689 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 CA--C 1.553 1.089 0 N-CA-C 112.553 0.575 . . . . 6.0 112.553 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.45 -40.94 77.19 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.863 3.042 . . . . 6.0 115.489 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.15 -42.88 65.47 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.301 -0.874 . . . . 6.0 111.752 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.23 -45.62 92.51 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.85 -0.531 . . . . 6.0 109.722 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.48 -45.28 62.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.817 1.247 . . . . 6.0 110.032 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -64.09 -41.7 97.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.429 0.691 . . . . 6.0 112.141 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.22 -51.24 70.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -42.06 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.318 1.417 . . . . 6.0 110.751 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.16 -47.66 74.83 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.353 0.978 . . . . 6.0 112.422 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.63 -46.84 83.86 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.323 -0.846 . . . . 6.0 111.788 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.12 -44.37 92.43 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.007 1.276 . . . . 6.0 110.851 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.4 -55.37 29.33 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.161 0.984 . . . . 6.0 110.13 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.3 t -62.14 -38.25 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 113.15 0.796 . . . . 6.0 113.15 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.39 -39.12 78.81 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.167 0.894 . . . . 6.0 111.616 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.51 -44.29 78.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.164 0.586 . . . . 6.0 110.741 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.8 -40.67 80.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.999 0.52 . . . . 6.0 111.176 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -64.08 -60.56 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.004 0.522 . . . . 6.0 110.052 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.95 -37.05 60.71 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.803 1.241 . . . . 6.0 114.329 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -56.6 -59.12 5.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.111 0.964 . . . . 6.0 111.852 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.95 -32.31 69.16 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.455 -0.778 . . . . 6.0 112.538 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 7.1 t -62.53 -45.09 94.55 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.576 0.625 . . . . 6.0 110.973 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 124.264 1.026 . . . . 6.0 111.507 176.749 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 CA--C 1.556 1.201 0 N-CA-C 107.237 -1.394 . . . . 6.0 107.237 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -34.27 -33.26 0.07 OUTLIER 'Trans proline' 0 CA--C 1.543 0.954 1 C-N-CA 126.234 4.623 . . . . 6.0 121.587 -173.111 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -132.33 20.37 4.39 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.037 1.289 . . . . 6.0 113.5 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.9 t -49.57 -51.77 34.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.216 1.006 . . . . 6.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -34.06 74.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.101 0.96 . . . . 6.0 113.161 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.4 m -64.33 -50.65 66.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 6.0 109.058 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -45.13 85.79 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.859 0.864 . . . . 6.0 111.287 177.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -55.1 -41.58 71.8 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.798 1.181 . . . . 6.0 111.991 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.02 -45.15 82.54 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.644 0.778 . . . . 6.0 112.004 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.4 -41.99 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.396 1.078 . . . . 6.0 111.561 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.8 -46.55 84.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.04 1.736 . . . . 6.0 111.717 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.22 -44.19 95.39 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.632 -0.667 . . . . 6.0 110.854 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -58.97 -50.03 75.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.408 0.683 . . . . 6.0 110.778 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 62.5 mtp -53.57 -34.22 57.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.149 1.78 . . . . 6.0 112.94 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.535 1.134 . . . . 6.0 113.363 179.043 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 108.12 -1.067 . . . . 6.0 108.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.59 -40.74 39.86 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.15 -22.39 36.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.185 1.18 . . . . 6.0 114.185 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.3 t -65.43 -63.38 1.11 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.28 1.4 . . . . 6.0 111.122 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.52 69.29 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.648 0.981 . . . . 6.0 113.648 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 19.3 p -68.21 -53.09 27.25 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 117.957 0.344 . . . . 6.0 111.046 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.9 m -52.74 -48.19 66.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.504 1.122 . . . . 6.0 112.355 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.23 -39.64 45.2 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.125 1.77 . . . . 6.0 112.364 177.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -81.97 -42.74 18.99 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.923 1.289 . . . . 6.0 112.634 173.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.47 -42.35 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.763 1.225 . . . . 6.0 113.261 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 11.6 mt -59.75 -47.59 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.199 1.4 . . . . 6.0 110.389 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.7 m -55.33 -23.38 23.46 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.32 1.23 . . . . 6.0 114.32 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -74.73 -56.18 5.07 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.579 1.081 . . . . 6.0 111.094 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.49 -33.08 70.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.746 0.818 . . . . 6.0 112.058 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -67.31 -9.88 45.43 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.009 1.723 . . . . 6.0 114.015 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -33.0 1.14 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.525 2.046 . . . . 6.0 116.525 -174.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.35 150.49 48.2 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.462 1.028 . . . . 6.0 113.629 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 62.9 p -140.72 -8.12 1.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.595 1.958 . . . . 6.0 113.807 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.6 117.5 6.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.75 1.62 . . . . 6.0 111.489 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -67.35 -8.82 35.53 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.528 1.677 . . . . 6.0 115.528 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.37 15.3 8.3 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.929 1.292 . . . . 6.0 113.202 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 45.9 t -54.97 125.91 57.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 107.01 -1.478 . . . . 6.0 107.01 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.91 -40.41 44.22 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.055 1.837 . . . . 6.0 111.649 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.19 -53.52 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 117.823 -1.084 . . . . 6.0 111.067 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.664 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 74.6 m -69.07 -29.65 67.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.85 1.796 . . . . 6.0 115.85 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.1 tp -41.2 -54.82 5.58 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 120.933 1.697 . . . . 6.0 114.959 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.71 -39.13 92.88 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.044 1.766 . . . . 6.0 113.082 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.94 -44.81 65.35 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.973 1.26 . . . . 6.0 111.837 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.664 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 41.7 mttt -58.79 -28.26 65.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.352 1.461 . . . . 6.0 110.52 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -89.95 -29.33 18.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.414 1.886 . . . . 6.0 113.193 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 127.086 2.154 . . . . 6.0 114.152 -179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 119.087 -0.482 . . . . 6.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.63 161.16 8.17 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 123.181 2.587 . . . . 6.0 112.964 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.32 108.12 1.24 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.105 1.762 . . . . 6.0 114.132 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.76 125.26 37.87 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 126.427 1.891 . . . . 6.0 110.117 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.16 126.66 23.28 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 122.598 2.199 . . . . 6.0 113.749 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -46.82 -42.47 17.22 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.477 1.911 . . . . 6.0 114.865 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.37 -26.29 66.39 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.94 0.896 . . . . 6.0 113.41 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.15 -24.5 21.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.399 1.08 . . . . 6.0 112.723 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -54.73 -38.68 67.42 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.215 1.37 . . . . 6.0 111.838 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.21 -12.74 61.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 6.0 114.576 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.68 131.35 43.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.464 1.029 . . . . 6.0 111.026 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.19 106.14 3.68 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.308 0.643 . . . . 6.0 109.452 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.5 p -86.47 -7.92 58.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.895 1.278 . . . . 6.0 114.104 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.42 -46.52 98.91 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-N 120.32 1.418 . . . . 6.0 112.871 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -62.62 -32.26 79.31 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.489 2.126 . . . . 6.0 112.134 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.0 mtt -65.08 -17.3 64.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.311 1.045 . . . . 6.0 113.714 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.25 -23.2 13.97 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.45 1.278 . . . . 6.0 114.45 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.26 -28.8 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 119.457 1.026 . . . . 6.0 111.835 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.69 -10.38 53.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.324 1.849 . . . . 6.0 113.94 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -45.33 -28.55 0.85 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 117.38 2.363 . . . . 6.0 117.38 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.4 37.53 1.88 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.661 1.184 . . . . 6.0 110.966 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.6 m -128.57 15.9 6.49 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 116.426 2.01 . . . . 6.0 116.426 -172.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.05 146.8 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.242 0.928 . . . . 6.0 112.777 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -111.3 85.56 2.15 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.646 1.979 . . . . 6.0 108.68 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -48.25 -36.89 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.162 1.385 . . . . 6.0 112.17 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -89.62 -19.89 24.36 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 116.276 1.954 . . . . 6.0 116.276 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -104.34 -18.07 14.57 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.67 1.359 . . . . 6.0 114.67 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.88 -43.01 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.427 1.091 . . . . 6.0 111.614 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 19.3 tpp . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 127.479 2.312 . . . . 6.0 114.447 -171.877 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 115.027 1.491 . . . . 6.0 115.027 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.94 -43.9 19.27 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 124.719 3.612 . . . . 6.0 115.935 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.3 -42.53 59.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.425 -0.797 . . . . 6.0 112.133 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -41.35 96.66 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.307 -0.871 . . . . 6.0 110.025 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -55.57 -45.25 77.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.839 1.656 . . . . 6.0 110.333 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -60.76 -40.88 94.17 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.185 0.994 . . . . 6.0 111.695 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.31 -49.59 76.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.249 1.203 . . . . 6.0 114.249 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.21 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.436 1.471 . . . . 6.0 110.735 175.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.46 -46.31 83.8 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.231 0.923 . . . . 6.0 112.169 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.99 -47.92 81.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.248 1.019 . . . . 6.0 111.754 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.36 -45.14 89.05 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.699 1.136 . . . . 6.0 111.254 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 61.8 tp -54.17 -48.13 71.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.99 0.916 . . . . 6.0 111.209 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.6 t -68.53 -38.6 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.727 0.64 . . . . 6.0 112.727 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.82 -40.89 94.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.265 0.939 . . . . 6.0 110.87 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.44 -47.12 83.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.299 0.64 . . . . 6.0 110.178 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.98 -40.23 72.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.802 0.841 . . . . 6.0 112.222 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -65.12 -57.54 8.34 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.478 0.581 . . . . 6.0 110.077 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.48 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.501 1.296 . . . . 6.0 114.501 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.05 -44.22 64.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.962 1.305 . . . . 6.0 112.31 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -90.05 -36.19 15.05 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.216 1.406 . . . . 6.0 111.64 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.72 -35.9 77.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.596 1.089 . . . . 6.0 112.511 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 CA--C 1.544 0.728 0 O-C-N 120.666 -1.271 . . . . 6.0 110.446 173.807 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.111 0 CA-C-O 119.034 -0.508 . . . . 6.0 111.592 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -45.41 -30.18 5.44 Favored 'Trans proline' 0 CA--C 1.54 0.789 1 C-N-CA 125.783 4.322 . . . . 6.0 118.283 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -131.21 22.39 4.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.597 1.159 . . . . 6.0 113.879 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.96 -49.55 65.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.72 0.808 . . . . 6.0 111.14 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -35.63 75.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.622 1.169 . . . . 6.0 112.916 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 34.8 m -64.46 -50.38 67.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.512 1.125 . . . . 6.0 109.38 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.2 mmt -64.27 -45.19 89.16 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.794 0.837 . . . . 6.0 111.814 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -56.66 -42.59 79.22 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.367 0.985 . . . . 6.0 111.862 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -66.27 -45.08 81.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.228 0.611 . . . . 6.0 111.407 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.5 -43.86 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.996 0.918 . . . . 6.0 111.268 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.79 -46.77 77.46 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.576 1.55 . . . . 6.0 112.454 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -60.46 -41.11 93.45 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.877 -0.514 . . . . 6.0 111.034 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -63.0 -53.93 46.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.039 0.936 . . . . 6.0 110.611 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.8 mtp -48.65 -40.07 26.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.987 2.115 . . . . 6.0 113.162 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 124.976 1.31 . . . . 6.0 113.872 -179.05 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 108.691 -0.855 . . . . 6.0 108.691 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.69 -29.02 36.95 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.007 1.484 . . . . 6.0 115.007 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.04 -24.56 21.15 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.899 1.444 . . . . 6.0 114.899 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.57 -69.25 0.13 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.792 1.637 . . . . 6.0 112.813 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.28 70.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.26 0.837 . . . . 6.0 113.26 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.0 m -66.42 -47.87 71.84 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.99 -0.444 . . . . 6.0 111.56 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -58.62 -48.19 81.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.127 1.371 . . . . 6.0 111.409 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -51.04 -38.0 48.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.959 1.304 . . . . 6.0 112.401 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -82.82 -40.75 19.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.916 0.886 . . . . 6.0 112.273 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -44.32 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.119 -0.988 . . . . 6.0 112.234 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.4 mt -56.39 -46.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.105 1.762 . . . . 6.0 111.415 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 65.6 m -57.18 -28.08 62.49 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.317 1.229 . . . . 6.0 114.317 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.21 -56.59 5.76 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.293 0.952 . . . . 6.0 111.051 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -58.78 -33.71 70.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.077 0.951 . . . . 6.0 112.004 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -60.55 -16.49 38.15 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.051 1.741 . . . . 6.0 114.639 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -130.95 -26.14 2.2 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.663 1.727 . . . . 6.0 115.663 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 38.0 t -70.25 131.19 43.82 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.792 1.178 . . . . 6.0 112.555 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 81.6 p -129.79 5.44 5.04 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.659 1.583 . . . . 6.0 114.301 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.69 164.29 10.05 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.82 1.248 . . . . 6.0 113.672 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -107.1 1.75 24.44 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.582 1.553 . . . . 6.0 112.069 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -140.82 9.95 2.19 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.348 1.61 . . . . 6.0 115.348 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.3 t -55.01 125.29 56.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.423 1.089 . . . . 6.0 109.594 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -43.09 60.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.006 2.47 . . . . 6.0 112.42 -177.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.7 t -83.09 -52.24 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 117.032 -1.461 . . . . 6.0 111.749 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.7 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 77.7 m -70.68 -27.09 63.76 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 121.49 1.95 . . . . 6.0 115.734 -176.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.7 tp -38.25 -55.21 2.47 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 121.796 2.089 . . . . 6.0 115.144 -176.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.17 -37.06 99.08 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 121.963 1.775 . . . . 6.0 113.598 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.75 -43.83 57.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.246 1.384 . . . . 6.0 111.753 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.7 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 21.7 mmtm -57.52 -35.96 70.94 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 6.0 109.134 176.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -75.12 -47.05 30.53 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.038 1.735 . . . . 6.0 111.072 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 125.809 1.644 . . . . 6.0 113.141 176.821 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 CA--C 1.543 0.676 0 CA-C-O 119.031 -0.509 . . . . 6.0 111.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -59.03 158.67 24.43 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.938 2.425 . . . . 6.0 112.7 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -65.44 105.37 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.787 1.235 . . . . 6.0 113.614 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.31 125.25 11.81 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.624 2.37 . . . . 6.0 111.077 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -47.1 129.34 15.17 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.494 2.796 . . . . 6.0 114.391 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -54.11 -32.1 54.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.066 1.346 . . . . 6.0 113.979 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -77.11 -28.72 54.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.476 1.11 . . . . 6.0 113.017 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.7 mt -90.24 -32.52 16.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.341 1.237 . . . . 6.0 114.341 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -56.36 -29.41 61.37 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.206 1.367 . . . . 6.0 113.495 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -79.86 -9.97 59.73 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.655 1.582 . . . . 6.0 114.426 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.38 138.41 58.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.79 1.177 . . . . 6.0 110.767 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -72.57 101.35 2.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.256 0.622 . . . . 6.0 110.538 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -7.45 57.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.072 1.349 . . . . 6.0 114.112 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.0 -47.93 95.87 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.586 1.539 . . . . 6.0 112.674 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.29 -33.58 89.4 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.456 2.104 . . . . 6.0 111.938 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 23.1 mtt -64.07 -17.4 63.35 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.585 0.957 . . . . 6.0 113.585 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -55.48 -22.93 23.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.991 1.269 . . . . 6.0 114.356 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.7 pt -62.5 -30.55 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 119.52 1.055 . . . . 6.0 111.324 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -84.65 -10.5 57.27 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.32 1.848 . . . . 6.0 114.138 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -48.08 -23.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 117.478 2.399 . . . . 6.0 117.478 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.63 33.12 1.63 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.48 1.512 . . . . 6.0 112.038 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.5 m -130.77 21.55 5.02 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.103 1.89 . . . . 6.0 116.103 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.39 154.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.991 0.814 . . . . 6.0 112.664 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -121.52 84.78 2.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.232 2.213 . . . . 6.0 109.29 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.79 -37.36 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.121 1.368 . . . . 6.0 112.527 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -90.95 -19.83 22.84 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.122 1.897 . . . . 6.0 116.122 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -104.79 -16.71 14.84 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.923 1.453 . . . . 6.0 114.923 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -43.96 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.218 1.007 . . . . 6.0 111.015 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 125.906 1.683 . . . . 6.0 113.631 -174.042 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 112.383 0.512 . . . . 6.0 112.383 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.09 -31.22 74.17 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.043 3.162 . . . . 6.0 115.738 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.16 -42.77 20.36 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.465 -0.772 . . . . 6.0 111.332 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -59.27 -45.26 91.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.701 -0.624 . . . . 6.0 109.896 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -48.48 -44.64 35.97 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.366 1.467 . . . . 6.0 111.563 177.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -65.84 -44.21 86.2 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.785 0.72 . . . . 6.0 111.933 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 47.8 mt -56.19 -44.12 79.13 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.04 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 119.836 1.198 . . . . 6.0 111.039 173.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -57.21 -50.29 73.33 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.499 1.499 . . . . 6.0 112.804 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -59.64 -47.01 87.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.303 1.441 . . . . 6.0 111.858 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -64.66 -44.26 90.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.426 1.012 . . . . 6.0 111.27 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.66 -52.94 58.34 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.576 0.75 . . . . 6.0 110.596 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.98 -41.49 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 113.019 0.748 . . . . 6.0 113.019 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.82 -40.33 79.71 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.942 0.792 . . . . 6.0 111.527 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.22 -45.67 79.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.486 0.714 . . . . 6.0 111.288 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.54 -41.96 77.69 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.531 0.733 . . . . 6.0 111.06 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.9 -59.63 4.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.401 0.62 . . . . 6.0 109.961 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.4 66.65 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 117.492 2.405 . . . . 6.0 117.492 -174.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -64.19 -49.01 73.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.875 1.67 . . . . 6.0 111.996 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.47 63.22 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.384 -0.823 . . . . 6.0 111.715 174.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.38 -32.06 70.86 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.469 0.577 . . . . 6.0 110.768 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? . . . . . 0 CA--C 1.536 0.419 0 O-C-N 120.208 -1.557 . . . . 6.0 108.775 173.508 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.116 0 CA-C-O 118.622 -0.704 . . . . 6.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.01 -28.47 7.27 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 125.11 3.873 . . . . 6.0 117.663 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -131.4 23.29 4.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.812 1.245 . . . . 6.0 113.556 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.0 -49.34 66.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 6.0 111.183 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.92 74.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.326 1.051 . . . . 6.0 113.168 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.1 m -64.95 -51.0 64.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.463 1.105 . . . . 6.0 109.242 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.13 -44.01 93.53 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.976 0.91 . . . . 6.0 112.143 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -57.28 -43.08 82.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.98 0.912 . . . . 6.0 111.298 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -65.97 -42.37 89.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.292 0.637 . . . . 6.0 112.138 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.96 -46.51 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.038 0.935 . . . . 6.0 110.923 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.08 -45.07 86.78 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.646 1.179 . . . . 6.0 111.459 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.01 -43.0 81.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.944 -0.473 . . . . 6.0 110.833 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -61.22 -54.77 39.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.276 0.63 . . . . 6.0 109.984 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 80.3 mtp -52.25 -38.76 59.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.409 . . . . 6.0 113.467 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.288 1.435 . . . . 6.0 113.593 -179.128 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 108.367 -0.975 . . . . 6.0 108.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.0 59.4 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.981 1.845 . . . . 6.0 115.981 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.31 -27.91 38.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 12.0 t -55.96 -70.23 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.407 1.483 . . . . 6.0 113.958 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.85 74.48 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.746 -0.596 . . . . 6.0 112.156 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -62.09 -50.22 72.81 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.23 0.612 . . . . 6.0 110.899 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.9 m -59.6 -45.46 91.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.025 1.73 . . . . 6.0 112.187 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -32.57 66.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.735 1.214 . . . . 6.0 112.313 177.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.47 -47.16 12.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.542 1.137 . . . . 6.0 111.629 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -57.33 -43.69 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.182 1.393 . . . . 6.0 114.455 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.32 -49.55 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 6.0 111.057 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.2 t -61.0 -30.71 70.45 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.633 1.345 . . . . 6.0 114.633 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -57.81 -57.84 10.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.994 1.27 . . . . 6.0 110.989 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.9 -37.01 70.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.139 0.975 . . . . 6.0 113.305 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -69.69 -9.85 55.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.523 1.305 . . . . 6.0 114.523 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -126.83 -24.61 3.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.506 1.669 . . . . 6.0 115.506 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.81 108.35 2.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.796 1.238 . . . . 6.0 112.259 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.4 p -82.74 -11.64 58.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.935 1.294 . . . . 6.0 113.821 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . 0.413 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 80.8 mtm180 -65.24 122.85 18.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.346 1.459 . . . . 6.0 113.047 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -75.96 -2.35 30.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.043 0.537 . . . . 6.0 112.193 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.57 17.51 5.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.488 1.515 . . . . 6.0 114.749 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . 0.413 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 19.2 t -55.73 134.19 72.23 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.049 0.94 . . . . 6.0 109.494 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.14 -23.75 77.84 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.481 2.12 . . . . 6.0 112.214 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.7 t -101.61 -51.28 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 117.236 -1.364 . . . . 6.0 111.359 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.631 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 66.5 m -69.07 -27.14 65.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 121.196 1.816 . . . . 6.0 115.386 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -38.39 -56.74 2.06 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 120.569 1.531 . . . . 6.0 114.485 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.76 -40.34 73.67 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.086 1.857 . . . . 6.0 113.649 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.94 -36.29 81.89 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.353 1.433 . . . . 6.0 110.97 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.631 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 52.3 mttt -66.6 -38.49 87.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.8 1.24 . . . . 6.0 109.017 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -67.58 -31.11 70.95 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.331 1.052 . . . . 6.0 111.733 170.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.422 1.489 . . . . 6.0 112.576 -179.536 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 119.443 -0.313 . . . . 6.0 111.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -57.2 158.73 17.29 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.366 2.711 . . . . 6.0 112.22 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.62 107.28 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.62 1.168 . . . . 6.0 113.053 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.1 124.66 22.14 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.106 2.162 . . . . 6.0 110.892 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.26 126.48 17.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.794 2.996 . . . . 6.0 113.954 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -47.31 -44.62 23.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.775 1.63 . . . . 6.0 113.847 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -65.33 -25.74 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.677 1.191 . . . . 6.0 113.188 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.7 mt -90.13 -28.63 18.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.283 1.033 . . . . 6.0 112.092 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -60.31 -32.65 71.42 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.199 1.363 . . . . 6.0 111.055 174.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -64.24 -23.46 67.32 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.531 1.532 . . . . 6.0 113.24 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.02 125.95 28.27 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.277 -0.889 . . . . 6.0 110.453 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -71.48 117.2 12.73 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.642 -1.244 . . . . 6.0 107.642 173.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -90.08 -3.69 57.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.918 1.687 . . . . 6.0 114.934 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -44.2 98.67 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 120.131 1.332 . . . . 6.0 112.938 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.71 -37.75 65.9 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.145 1.897 . . . . 6.0 111.587 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -17.83 63.36 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -51.47 -24.24 4.85 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.262 1.392 . . . . 6.0 114.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.6 pt -67.12 -26.15 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.63 0.772 . . . . 6.0 112.892 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -88.23 -9.9 51.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.814 2.045 . . . . 6.0 114.887 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -51.18 -21.59 2.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 117.957 2.577 . . . . 6.0 117.957 -172.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -140.72 30.53 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 6.0 113.232 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.8 18.75 5.11 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.616 1.71 . . . . 6.0 115.616 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.96 148.2 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 O-C-N 121.069 -1.019 . . . . 6.0 113.023 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -117.86 83.63 2.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.73 2.012 . . . . 6.0 107.844 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -43.92 -43.43 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.289 1.836 . . . . 6.0 112.8 -173.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -85.08 -19.73 31.47 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.966 1.839 . . . . 6.0 115.966 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -99.38 -18.3 17.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.162 1.542 . . . . 6.0 115.162 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -41.39 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.833 1.253 . . . . 6.0 110.724 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 11.5 tpp . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 125.228 1.411 . . . . 6.0 111.818 -178.164 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 48.6 t0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 114.311 1.226 . . . . 6.0 114.311 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.56 -43.74 14.05 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 125.004 3.803 . . . . 6.0 116.452 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.82 -42.9 94.62 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.526 -0.734 . . . . 6.0 111.671 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -37.39 73.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.207 1.403 . . . . 6.0 112.388 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.4 ' NH1' HE22 ' A' ' 354' ' ' GLN . 2.8 tmm_? -52.41 -43.24 64.69 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.23 1.412 . . . . 6.0 112.659 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -69.95 -35.54 74.58 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.589 0.631 . . . . 6.0 112.603 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.65 -45.22 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.468 1.284 . . . . 6.0 114.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -41.6 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 120.439 1.472 . . . . 6.0 110.49 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.4 HE22 ' NH1' ' A' ' 350' ' ' ARG . 98.2 mt-30 -55.95 -44.55 78.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.288 0.949 . . . . 6.0 112.918 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.62 -47.51 72.42 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.222 -0.894 . . . . 6.0 112.121 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -63.34 -43.6 97.25 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.35 1.432 . . . . 6.0 110.765 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 45.5 tp -53.85 -54.94 31.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.803 0.841 . . . . 6.0 111.205 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.29 -40.21 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 112.569 0.581 . . . . 6.0 112.569 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.83 -41.18 86.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.395 0.543 . . . . 6.0 111.91 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.05 -46.8 76.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.825 . . . . 6.0 111.401 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 77.1 mt -57.16 -40.72 77.8 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.004 0.921 . . . . 6.0 110.741 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -65.09 -60.99 2.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.331 0.653 . . . . 6.0 110.835 174.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -50.35 -36.67 33.34 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.889 1.676 . . . . 6.0 114.708 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -65.93 -52.61 48.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.755 1.162 . . . . 6.0 111.375 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -60.77 -32.21 71.54 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.14 -0.975 . . . . 6.0 111.746 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . 0.443 ' CB ' ' HZ1' ' A' ' 388' ' ' LYS . 4.4 t -72.83 -41.43 64.86 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.125 1.37 . . . . 6.0 110.583 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? . . . . . 0 CA--C 1.54 0.59 0 O-C-N 120.163 -1.586 . . . . 6.0 110.688 174.853 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.194 0 CA-C-O 118.465 -0.779 . . . . 6.0 109.477 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -41.31 -31.37 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 125.442 4.095 . . . . 6.0 118.322 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -128.61 21.15 6.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.084 1.354 . . . . 6.0 113.679 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.58 -49.59 64.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 6.0 109.628 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -64.78 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.955 1.302 . . . . 6.0 113.288 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.4 m -60.53 -50.28 74.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.151 0.98 . . . . 6.0 109.196 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -45.57 82.66 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.322 1.049 . . . . 6.0 111.079 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . 0.443 ' HZ1' ' CB ' ' A' ' 366' ' ' CYS . 77.7 mttt -57.22 -40.81 78.28 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.968 1.258 . . . . 6.0 112.573 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -62.67 -44.18 96.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.274 0.629 . . . . 6.0 111.276 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.47 -41.09 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.421 1.089 . . . . 6.0 111.452 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.24 -49.45 67.17 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.39 1.876 . . . . 6.0 112.296 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.45 -41.11 88.9 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.774 -0.579 . . . . 6.0 110.517 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -60.23 -54.2 48.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.524 0.729 . . . . 6.0 110.395 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.7 mtp -51.55 -38.85 56.23 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.122 1.769 . . . . 6.0 113.318 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.584 1.154 . . . . 6.0 113.14 -179.391 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 107.668 -1.234 . . . . 6.0 107.668 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.62 -43.54 36.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.319 1.6 . . . . 6.0 115.319 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -80.99 -26.84 36.22 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 117.586 -1.197 . . . . 6.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 32.8 t -59.39 -66.97 0.42 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.518 1.527 . . . . 6.0 113.881 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.01 72.26 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.618 -0.677 . . . . 6.0 112.202 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 31.7 m -65.22 -46.95 78.56 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.796 0.438 . . . . 6.0 110.551 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.3 m -58.78 -46.48 87.42 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.355 . . . . 6.0 112.394 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -51.67 -43.5 62.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.182 0.993 . . . . 6.0 111.972 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -75.52 -46.86 29.73 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.814 0.846 . . . . 6.0 111.951 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -55.95 -46.91 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.613 1.165 . . . . 6.0 113.101 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.87 -54.04 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.979 1.311 . . . . 6.0 110.041 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.9 m -57.2 -26.49 60.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.199 1.185 . . . . 6.0 114.199 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -64.13 -64.8 0.79 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.107 0.867 . . . . 6.0 109.846 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -56.67 -38.59 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.889 1.276 . . . . 6.0 113.768 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -65.75 -10.05 33.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -129.97 -21.49 3.0 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.477 1.658 . . . . 6.0 115.477 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 36.6 t -64.34 109.78 2.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.855 1.262 . . . . 6.0 113.536 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 37.8 p -87.12 -10.83 51.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.1 1.36 . . . . 6.0 113.348 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . 0.418 ' NH1' ' SG ' ' A' ' 421' ' ' CYS . 10.0 mtp-105 -65.63 105.23 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.724 1.61 . . . . 6.0 112.082 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -66.42 -6.93 16.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.366 1.067 . . . . 6.0 113.228 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.65 10.46 9.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.017 1.727 . . . . 6.0 113.971 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.7 t -54.28 130.94 61.27 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.236 1.014 . . . . 6.0 109.357 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.68 -46.45 26.83 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.619 2.213 . . . . 6.0 110.919 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.23 -53.86 17.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 117.669 -1.158 . . . . 6.0 111.419 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.661 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 63.3 m -68.94 -29.42 67.66 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 115.973 1.842 . . . . 6.0 115.973 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.6 tp -42.09 -54.0 7.87 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 120.933 1.697 . . . . 6.0 115.461 -174.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.79 -37.03 98.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 122.153 1.805 . . . . 6.0 112.917 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.7 -41.42 65.29 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.953 1.251 . . . . 6.0 111.617 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.661 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 48.3 mttt -63.16 -23.72 67.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.161 1.384 . . . . 6.0 110.755 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -84.8 -47.6 10.22 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.754 1.622 . . . . 6.0 109.828 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 126.942 2.097 . . . . 6.0 113.1 176.464 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -57.13 157.18 21.84 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.946 2.431 . . . . 6.0 113.571 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -61.6 109.17 1.12 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.395 1.478 . . . . 6.0 112.497 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.57 129.87 70.38 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 126.571 1.948 . . . . 6.0 111.758 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -55.68 121.1 9.36 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.583 2.189 . . . . 6.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -27.01 66.66 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.137 1.532 . . . . 6.0 115.137 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -67.09 -25.9 66.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.532 1.06 . . . . 6.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.8 mt -90.36 -27.07 19.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.816 1.247 . . . . 6.0 112.414 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.34 -36.73 73.85 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 120.167 1.349 . . . . 6.0 110.863 174.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.21 -16.85 63.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.236 1.414 . . . . 6.0 114.403 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.04 124.7 24.12 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.978 1.263 . . . . 6.0 109.2 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -68.12 109.88 3.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.751 -0.833 . . . . 6.0 108.751 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -4.36 58.87 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 115.332 1.604 . . . . 6.0 115.332 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.88 -45.89 99.83 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 120.333 1.424 . . . . 6.0 113.076 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -35.4 80.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.996 1.798 . . . . 6.0 112.487 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -18.21 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.383 1.073 . . . . 6.0 113.582 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -52.21 -24.23 6.87 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.075 1.307 . . . . 6.0 114.14 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.2 pt -67.15 -25.62 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 118.822 0.737 . . . . 6.0 112.472 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -89.28 -10.25 47.57 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 6.0 114.179 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -47.34 -27.3 1.55 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.914 2.19 . . . . 6.0 116.914 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.32 32.03 2.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 6.0 112.42 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -127.72 19.01 6.73 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 -174.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -145.02 153.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.29 1.036 . . . . 6.0 112.207 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -124.5 87.79 2.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.89 2.076 . . . . 6.0 108.287 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -45.89 -40.54 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.034 1.734 . . . . 6.0 113.067 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -87.62 -19.96 27.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.225 1.935 . . . . 6.0 116.225 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -91.79 -24.95 19.25 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -45.12 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.859 1.264 . . . . 6.0 112.471 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.454 1.101 . . . . 6.0 113.71 -174.29 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 CA--C 1.55 0.975 0 CA-C-O 118.606 -0.712 . . . . 6.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.28 -44.54 42.47 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.213 3.275 . . . . 6.0 116.284 -176.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -71.09 -48.63 51.34 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.307 -0.87 . . . . 6.0 112.13 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -40.77 96.87 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.789 -0.57 . . . . 6.0 110.019 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.53 -46.1 77.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.547 1.539 . . . . 6.0 111.395 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.76 -42.89 99.56 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.167 0.894 . . . . 6.0 111.631 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.69 -49.03 74.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.881 1.067 . . . . 6.0 113.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -41.5 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 120.607 1.549 . . . . 6.0 111.526 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.69 -45.53 81.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.99 1.268 . . . . 6.0 112.403 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.72 -48.07 78.55 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.501 1.12 . . . . 6.0 111.676 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.78 -43.74 95.45 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.275 1.398 . . . . 6.0 110.789 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.21 -54.17 43.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.897 0.879 . . . . 6.0 110.747 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.49 -38.17 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.256 0.836 . . . . 6.0 113.256 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.88 -39.41 85.21 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.066 0.848 . . . . 6.0 110.874 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.1 -45.57 84.65 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.598 0.636 . . . . 6.0 110.439 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.06 -42.65 76.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.182 0.593 . . . . 6.0 111.603 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -63.63 -59.65 4.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.031 0.443 . . . . 6.0 110.345 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.43 65.68 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.586 1.328 . . . . 6.0 114.586 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -55.81 -48.02 76.16 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.439 1.018 . . . . 6.0 111.442 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -80.53 -36.86 32.55 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.535 0.734 . . . . 6.0 111.594 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.33 -34.81 75.88 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.448 1.022 . . . . 6.0 111.863 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 . . . . . 0 CA--C 1.539 0.524 0 O-C-N 120.861 -1.149 . . . . 6.0 110.094 173.492 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 119.01 -0.519 . . . . 6.0 112.122 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -46.04 -29.81 6.65 Favored 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.72 4.28 . . . . 6.0 117.733 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.06 19.92 6.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.052 1.341 . . . . 6.0 113.82 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.13 -51.92 60.4 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.633 0.652 . . . . 6.0 110.733 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.74 72.88 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.826 1.046 . . . . 6.0 113.826 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 28.0 m -65.27 -50.09 67.07 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.036 1.335 . . . . 6.0 108.96 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.65 -45.99 77.18 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.176 0.99 . . . . 6.0 111.989 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -54.08 -40.86 67.6 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.951 1.251 . . . . 6.0 112.056 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.73 -47.47 80.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.675 0.79 . . . . 6.0 111.683 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.24 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.848 1.259 . . . . 6.0 111.845 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 51.6 mt -67.08 -49.35 65.36 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.04 1.736 . . . . 6.0 111.501 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -57.88 -42.83 85.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.874 -0.516 . . . . 6.0 110.72 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -59.74 -53.82 53.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.803 0.841 . . . . 6.0 110.553 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -36.06 58.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.088 1.755 . . . . 6.0 113.882 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 6.0 112.955 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 108.522 -0.918 . . . . 6.0 108.522 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.57 45.32 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.215 1.561 . . . . 6.0 115.215 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -85.75 -19.24 31.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.216 1.191 . . . . 6.0 114.216 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 9.6 t -66.45 -63.49 1.06 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.22 1.373 . . . . 6.0 110.453 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.44 66.7 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 8.4 p -70.01 -52.93 20.2 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.083 0.402 . . . . 6.0 110.923 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.8 m -51.47 -45.92 62.93 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.143 0.977 . . . . 6.0 112.529 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -49.7 -39.26 36.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.175 1.79 . . . . 6.0 112.541 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -90.01 -40.37 12.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.893 1.277 . . . . 6.0 112.39 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -56.83 -42.33 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.252 1.021 . . . . 6.0 111.838 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.93 -54.23 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.073 1.349 . . . . 6.0 109.67 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.3 m -50.45 -24.99 3.47 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.974 1.472 . . . . 6.0 114.974 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -73.16 -57.91 3.68 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.494 1.043 . . . . 6.0 111.229 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -58.11 -32.34 68.0 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.882 0.873 . . . . 6.0 112.14 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.75 -9.9 53.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.885 1.674 . . . . 6.0 113.798 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.34 -27.99 1.72 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.054 1.872 . . . . 6.0 116.054 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 6.3 t -65.44 168.47 7.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.835 1.303 . . . . 6.0 113.404 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.0 t -163.05 -24.78 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.438 1.895 . . . . 6.0 112.988 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -47.46 116.25 1.38 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.646 1.978 . . . . 6.0 112.141 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -66.21 -7.95 21.42 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.46 15.24 7.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.93 1.292 . . . . 6.0 113.155 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.29 125.82 59.81 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.033 -1.469 . . . . 6.0 107.033 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.72 -41.79 36.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.092 1.861 . . . . 6.0 111.66 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.92 -52.26 18.35 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 124.277 1.031 . . . . 6.0 111.147 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.661 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 71.8 m -69.85 -28.93 66.08 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 115.444 1.646 . . . . 6.0 115.444 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.4 tp -41.61 -53.94 7.02 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 121.164 1.802 . . . . 6.0 115.183 -174.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.81 -35.09 98.96 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 122.068 1.774 . . . . 6.0 113.485 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.47 -43.65 63.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.502 1.501 . . . . 6.0 110.647 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.661 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 46.5 mttt -61.42 -18.77 60.36 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.883 1.673 . . . . 6.0 111.072 175.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -90.14 -45.3 9.21 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.654 1.982 . . . . 6.0 110.623 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 127.461 2.304 . . . . 6.0 113.49 178.578 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 109.716 -0.475 . . . . 6.0 109.716 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.65 158.33 16.66 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 122.715 2.276 . . . . 6.0 113.152 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.46 108.89 1.21 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.234 1.813 . . . . 6.0 113.819 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.65 123.84 69.49 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.958 1.703 . . . . 6.0 110.827 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -51.88 125.85 18.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.001 2.467 . . . . 6.0 113.035 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.31 -40.01 61.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.541 1.137 . . . . 6.0 113.984 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.97 -27.54 69.47 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.113 0.965 . . . . 6.0 112.624 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.1 mt -90.24 -29.25 18.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.57 1.148 . . . . 6.0 112.601 172.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -58.11 -36.94 73.62 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.113 1.324 . . . . 6.0 110.093 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -61.51 -28.73 69.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.208 1.803 . . . . 6.0 113.701 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.99 129.09 38.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.122 0.874 . . . . 6.0 111.393 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -70.52 109.43 4.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.177 -0.675 . . . . 6.0 109.177 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.1 -6.67 58.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.637 1.347 . . . . 6.0 114.637 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.14 -47.52 98.93 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 120.481 1.491 . . . . 6.0 113.782 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.94 -30.73 77.18 Favored 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 121.49 1.568 . . . . 6.0 112.253 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.5 mtt -67.23 -16.9 64.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.977 1.311 . . . . 6.0 113.738 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -52.11 -23.3 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 18.4 pt -66.53 -28.74 44.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.443 0.697 . . . . 6.0 112.459 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.92 -11.38 53.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.082 1.753 . . . . 6.0 114.595 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -49.27 -23.72 1.5 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 117.548 2.425 . . . . 6.0 117.548 -173.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -140.63 34.38 1.82 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.09 1.356 . . . . 6.0 111.52 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.7 m -131.29 19.69 4.84 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.373 1.62 . . . . 6.0 115.373 -173.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.82 154.86 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.134 0.974 . . . . 6.0 112.351 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -126.11 84.86 2.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.966 2.107 . . . . 6.0 108.556 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -44.85 -42.25 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.332 1.853 . . . . 6.0 113.321 -172.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -86.74 -19.91 28.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 6.0 115.625 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -94.76 -25.03 16.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.438 1.273 . . . . 6.0 114.438 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -44.2 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.735 1.214 . . . . 6.0 111.677 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 30.9 tpp . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 125.896 1.679 . . . . 6.0 114.151 -173.547 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.558 1.268 0 N-CA-C 113.92 1.081 . . . . 6.0 113.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.24 -41.83 69.52 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.439 3.426 . . . . 6.0 115.045 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.95 -47.41 71.71 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.474 -0.766 . . . . 6.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -60.4 -47.21 87.05 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.79 0.436 . . . . 6.0 110.275 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -45.54 52.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.238 1.415 . . . . 6.0 111.4 176.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -67.52 -24.35 65.55 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.023 1.12 . . . . 6.0 114.023 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.67 -51.84 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.183 1.356 . . . . 6.0 112.378 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -38.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.063 0.847 . . . . 6.0 110.585 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -53.56 -52.91 58.22 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.049 0.84 . . . . 6.0 112.594 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.58 -40.74 89.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.154 -0.927 . . . . 6.0 112.91 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.22 -43.66 94.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.136 1.334 . . . . 6.0 111.049 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.18 -53.33 58.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.834 0.854 . . . . 6.0 110.695 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 29.3 t -62.19 -40.12 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 112.909 0.707 . . . . 6.0 112.909 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -40.49 89.57 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.612 0.642 . . . . 6.0 111.84 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.64 -45.35 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.786 0.721 . . . . 6.0 110.559 175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.3 -44.65 80.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.608 0.763 . . . . 6.0 111.098 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . 0.571 ' CE1' ' HZ1' ' A' ' 365' ' ' LYS . 49.9 t60 -63.02 -55.19 27.77 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.22 0.464 . . . . 6.0 110.901 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.38 -36.46 63.91 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.426 1.269 . . . . 6.0 114.426 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.38 -57.97 10.5 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.027 0.83 . . . . 6.0 110.509 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . 0.571 ' HZ1' ' CE1' ' A' ' 362' ' ' HIS . 0.0 OUTLIER -54.19 -41.31 68.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.936 1.295 . . . . 6.0 110.637 174.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . 0.439 ' CB ' ' HZ2' ' A' ' 365' ' ' LYS . 1.8 t -67.29 -36.73 82.15 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 122.075 -0.391 . . . . 6.0 111.715 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.953 0 O-C-N 120.741 -1.224 . . . . 6.0 108.557 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 N-CA-C 112.328 0.492 . . . . 6.0 112.328 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -45.5 -25.24 2.13 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 126.261 4.641 . . . . 6.0 118.291 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.38 17.82 4.43 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.047 1.339 . . . . 6.0 114.435 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.7 t -53.81 -51.4 63.61 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.085 0.857 . . . . 6.0 110.887 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -38.21 74.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.511 1.524 . . . . 6.0 113.365 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 38.1 m -63.49 -50.39 69.83 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.285 1.034 . . . . 6.0 109.457 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.3 mmt -65.73 -42.77 90.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.102 1.361 . . . . 6.0 112.657 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.91 -42.79 85.48 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.352 0.978 . . . . 6.0 110.926 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.8 -39.92 91.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.412 0.685 . . . . 6.0 112.057 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.25 -46.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.031 0.932 . . . . 6.0 110.737 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.13 -46.71 86.0 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.659 1.184 . . . . 6.0 111.27 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.95 -42.26 89.39 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.779 -0.576 . . . . 6.0 111.04 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -60.05 -53.67 55.01 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.62 0.645 . . . . 6.0 109.672 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.8 mtp -52.57 -41.68 63.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.239 1.416 . . . . 6.0 112.4 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 125.593 1.557 . . . . 6.0 113.613 179.109 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 108.801 -0.814 . . . . 6.0 108.801 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.22 -42.8 20.9 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.542 2.053 . . . . 6.0 116.542 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -89.95 -21.97 22.18 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.73 -70.57 0.17 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.162 1.385 . . . . 6.0 113.807 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.04 69.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.478 -0.764 . . . . 6.0 112.297 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 54.8 m -64.28 -49.51 71.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.25 0.62 . . . . 6.0 111.068 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -60.26 -43.11 96.45 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.402 1.481 . . . . 6.0 112.173 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -52.42 -48.85 65.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.018 0.927 . . . . 6.0 110.881 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.68 -44.08 71.21 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.157 0.983 . . . . 6.0 112.292 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.99 -44.21 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.302 -0.874 . . . . 6.0 113.345 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.61 -43.07 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.695 1.198 . . . . 6.0 109.35 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.9 m -59.27 -27.28 65.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -67.69 -52.33 39.05 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.022 1.283 . . . . 6.0 110.868 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.79 -33.83 70.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.368 1.067 . . . . 6.0 112.4 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -65.29 -12.66 53.92 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.721 1.378 . . . . 6.0 114.721 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -128.23 -30.24 2.42 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.551 1.686 . . . . 6.0 115.551 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.8 t -69.51 143.64 53.39 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.743 1.156 . . . . 6.0 113.379 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.5 p -138.61 -6.85 1.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.427 1.891 . . . . 6.0 113.134 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -63.21 116.23 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.439 1.896 . . . . 6.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -65.55 -9.1 23.57 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.47 1.656 . . . . 6.0 115.47 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -124.1 14.23 9.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.785 1.234 . . . . 6.0 113.846 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.6 126.76 76.57 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 106.799 -1.556 . . . . 6.0 106.799 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -64.41 -38.62 32.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.049 1.833 . . . . 6.0 112.747 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.49 -47.65 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 118.682 -0.675 . . . . 6.0 110.252 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.678 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 72.5 m -70.0 -30.35 67.66 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.726 1.38 . . . . 6.0 114.726 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -38.37 -57.44 1.84 Allowed Pre-proline 0 N--CA 1.478 0.956 0 CA-C-N 121.052 1.751 . . . . 6.0 114.474 -175.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.2 -35.09 93.31 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 121.761 1.641 . . . . 6.0 113.579 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.26 -40.96 74.07 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.329 1.422 . . . . 6.0 110.667 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.678 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 41.3 mttt -61.89 -34.66 76.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.549 1.54 . . . . 6.0 109.551 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -69.17 -51.92 33.3 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.137 0.881 . . . . 6.0 110.007 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 126.778 2.031 . . . . 6.0 114.593 -179.092 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 118.948 -0.549 . . . . 6.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -59.39 162.3 14.98 Favored 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 123.596 2.864 . . . . 6.0 114.07 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.23 112.57 2.45 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.007 2.123 . . . . 6.0 114.178 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -59.22 123.42 69.77 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 125.646 1.579 . . . . 6.0 111.268 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -51.92 125.46 17.22 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.388 2.725 . . . . 6.0 113.643 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -48.13 -41.31 26.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.218 1.807 . . . . 6.0 114.611 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.16 -25.46 64.38 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.41 1.084 . . . . 6.0 113.328 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.8 mt -90.05 -26.94 20.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.265 1.026 . . . . 6.0 112.056 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -56.28 -36.51 68.69 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.706 1.139 . . . . 6.0 112.015 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -72.73 -11.78 60.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 6.0 114.478 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.49 138.47 51.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.577 1.08 . . . . 6.0 111.113 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -74.06 103.07 4.4 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.457 0.703 . . . . 6.0 110.308 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.3 p -87.09 -10.69 52.25 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.651 1.181 . . . . 6.0 114.071 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.94 -47.65 98.51 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 120.245 1.384 . . . . 6.0 113.681 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.48 -23.12 23.88 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.142 1.895 . . . . 6.0 111.475 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.7 mtt -67.54 -16.44 64.19 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.313 1.045 . . . . 6.0 113.333 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.04 -22.11 9.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.898 1.444 . . . . 6.0 114.898 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.1 pt -63.63 -28.99 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.122 0.874 . . . . 6.0 111.808 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.89 -13.63 50.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.902 1.681 . . . . 6.0 114.142 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -47.01 -28.27 1.59 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.206 2.299 . . . . 6.0 117.206 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -141.31 33.52 1.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.445 1.498 . . . . 6.0 112.116 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.5 m -126.61 19.94 7.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.151 1.537 . . . . 6.0 115.151 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.6 t -143.56 157.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.175 0.99 . . . . 6.0 112.419 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -123.05 82.75 2.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.862 2.065 . . . . 6.0 108.693 175.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.6 mt -47.63 -38.46 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.573 1.549 . . . . 6.0 112.46 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -89.67 -19.8 24.41 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.588 1.699 . . . . 6.0 115.588 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -100.19 -20.89 15.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.108 1.522 . . . . 6.0 115.108 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -42.68 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.513 1.125 . . . . 6.0 111.705 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.9 tpp . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 126.269 1.827 . . . . 6.0 115.824 -171.798 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.553 1.063 0 N-CA-C 115.621 1.711 . . . . 6.0 115.621 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.18 -42.38 33.18 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.855 3.703 . . . . 6.0 115.022 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.33 -48.28 67.99 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.08 0.952 . . . . 6.0 111.839 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -64.64 -44.11 91.54 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.52 -0.738 . . . . 6.0 110.867 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -54.49 -43.7 72.01 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.548 1.539 . . . . 6.0 110.573 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -62.46 -47.36 84.36 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.071 0.948 . . . . 6.0 110.611 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.23 -47.96 81.88 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -43.25 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.323 1.42 . . . . 6.0 110.988 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -53.85 -46.72 71.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.166 0.894 . . . . 6.0 112.553 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.28 -47.58 83.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.056 0.943 . . . . 6.0 111.672 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.41 -43.23 98.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.553 1.07 . . . . 6.0 110.822 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.74 -56.72 14.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 6.0 110.439 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.26 -38.79 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 113.389 0.885 . . . . 6.0 113.389 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.42 -40.53 91.37 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.112 0.869 . . . . 6.0 111.152 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 23.5 mt -65.01 -44.51 88.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.741 0.701 . . . . 6.0 110.428 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 78.9 mt -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.795 0.838 . . . . 6.0 111.457 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -66.65 -56.73 9.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.7 0.4 . . . . 6.0 110.279 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.82 -41.69 61.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.572 1.549 . . . . 6.0 114.785 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -61.58 -52.86 62.67 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.41 1.005 . . . . 6.0 110.863 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -61.73 -35.46 78.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.288 0.635 . . . . 6.0 111.769 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.39 -37.78 88.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.221 1.009 . . . . 6.0 110.939 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 CA--C 1.548 0.886 0 O-C-N 120.963 -1.086 . . . . 6.0 109.536 173.744 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.553 1.081 0 N-CA-C 112.958 0.725 . . . . 6.0 112.958 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -46.09 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 125.899 4.399 . . . . 6.0 118.161 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -131.5 23.04 4.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.676 1.191 . . . . 6.0 113.649 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.31 -47.86 68.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.828 0.851 . . . . 6.0 111.72 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.99 77.04 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.436 1.094 . . . . 6.0 112.919 176.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 61.1 m -63.22 -50.54 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.775 1.23 . . . . 6.0 108.963 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -64.69 -45.02 88.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.624 1.169 . . . . 6.0 112.681 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -57.13 -44.19 83.11 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.315 0.961 . . . . 6.0 111.32 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.57 -40.53 92.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.372 0.669 . . . . 6.0 112.143 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.03 -45.44 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.104 0.962 . . . . 6.0 110.844 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.36 -46.95 84.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.524 1.13 . . . . 6.0 111.295 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.08 -42.97 86.7 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.845 -0.534 . . . . 6.0 111.127 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -60.29 -52.57 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.223 0.609 . . . . 6.0 110.142 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 73.4 mtp -53.76 -37.58 63.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.32 1.448 . . . . 6.0 112.789 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.571 1.549 . . . . 6.0 113.608 178.514 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 108.408 -0.96 . . . . 6.0 108.408 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.56 -41.18 66.2 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -83.13 -21.43 33.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.5 t -61.32 -68.2 0.34 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.206 1.366 . . . . 6.0 112.832 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.63 76.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.349 0.87 . . . . 6.0 113.349 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 28.4 p -64.84 -52.7 55.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.954 0.343 . . . . 6.0 110.474 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.2 m -54.37 -44.98 72.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.579 1.152 . . . . 6.0 112.523 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.5 -37.89 73.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 6.0 112.232 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -76.03 -44.69 38.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.743 1.217 . . . . 6.0 112.306 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -44.21 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.167 1.387 . . . . 6.0 113.824 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.01 -44.73 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.973 1.309 . . . . 6.0 110.684 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 71.9 m -60.58 -21.4 62.57 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.658 1.725 . . . . 6.0 115.658 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -68.44 -55.56 11.45 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.539 1.518 . . . . 6.0 110.737 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -57.76 -32.02 67.07 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.017 1.327 . . . . 6.0 113.07 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.41 -12.53 61.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.835 1.42 . . . . 6.0 114.835 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -129.61 -30.93 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.466 1.654 . . . . 6.0 115.466 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.02 141.18 54.93 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.496 1.044 . . . . 6.0 112.971 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 64.7 p -134.5 -5.67 2.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.108 1.763 . . . . 6.0 113.413 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.48 118.81 8.05 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.75 1.62 . . . . 6.0 110.963 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -67.67 -8.81 37.98 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.349 1.611 . . . . 6.0 115.349 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.61 15.65 8.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.051 1.34 . . . . 6.0 113.317 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.85 127.62 68.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 107.692 -1.225 . . . . 6.0 107.692 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -61.3 -39.35 58.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.939 1.759 . . . . 6.0 112.055 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.12 -52.13 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.376 1.071 . . . . 6.0 111.582 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.674 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 87.9 m -70.28 -29.05 65.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 69.7 tp -42.48 -53.8 8.84 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 121.112 1.778 . . . . 6.0 115.042 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.01 -36.04 98.33 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.166 1.809 . . . . 6.0 113.203 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 -41.95 64.37 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.607 1.549 . . . . 6.0 111.478 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.674 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 42.6 mttt -62.13 -30.99 71.41 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.533 1.533 . . . . 6.0 109.741 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -77.33 -46.16 23.82 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.002 1.321 . . . . 6.0 110.547 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.543 1.937 . . . . 6.0 113.387 176.743 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 119.038 -0.506 . . . . 6.0 111.225 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.57 162.1 10.96 Favored 'Trans proline' 0 CA--C 1.55 1.297 0 C-N-CA 123.314 2.676 . . . . 6.0 114.251 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.22 109.5 1.14 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.743 2.017 . . . . 6.0 113.215 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 791' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' B' ' 792' ' ' PRO . 10.8 tp -61.56 139.29 95.11 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.994 1.317 . . . . 6.0 112.718 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 792' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' B' ' 791' ' ' LEU . 71.1 Cg_endo -69.62 121.14 7.86 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.758 2.972 . . . . 6.0 112.99 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -51.12 -36.64 41.62 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.072 1.349 . . . . 6.0 114.51 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.4 -31.69 73.01 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.615 -0.678 . . . . 6.0 112.725 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.98 -28.14 19.32 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.551 0.74 . . . . 6.0 112.861 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -54.79 -31.32 58.81 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.829 1.195 . . . . 6.0 112.766 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.49 -13.43 61.42 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.057 1.343 . . . . 6.0 114.061 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.67 131.75 45.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.651 1.114 . . . . 6.0 111.377 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -72.33 111.93 7.96 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.141 -1.059 . . . . 6.0 108.141 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -89.42 -6.56 56.44 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.94 1.459 . . . . 6.0 114.94 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -57.65 -43.66 98.96 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.89 1.223 . . . . 6.0 112.969 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.59 -37.92 66.0 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.216 1.944 . . . . 6.0 112.062 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -17.07 60.96 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.788 1.033 . . . . 6.0 113.788 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -53.52 -24.13 12.45 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.288 1.404 . . . . 6.0 113.923 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -65.57 -28.4 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.315 0.961 . . . . 6.0 112.089 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -86.57 -10.69 53.44 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.427 1.891 . . . . 6.0 114.544 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -48.16 -24.8 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 117.833 2.531 . . . . 6.0 117.833 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -140.95 35.48 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.86 1.264 . . . . 6.0 111.668 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.3 m -131.73 19.87 4.65 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.509 1.67 . . . . 6.0 115.509 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.6 152.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.752 0.821 . . . . 6.0 112.237 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -123.21 85.36 2.41 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.711 2.004 . . . . 6.0 108.408 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -46.13 -39.72 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.102 1.761 . . . . 6.0 112.839 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.45 -19.89 28.95 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.924 1.824 . . . . 6.0 115.924 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.43 -24.77 17.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.536 1.31 . . . . 6.0 114.536 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -40.45 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.705 1.202 . . . . 6.0 112.388 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 15.4 tpp . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 6.0 113.843 -174.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 113.544 0.942 . . . . 6.0 113.544 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 60.4 p -136.52 -15.3 1.64 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.627 1.571 . . . . 6.0 114.105 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -76.7 176.25 52.79 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.302 0.953 . . . . 6.0 112.855 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -59.43 -16.13 33.72 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.913 3.075 . . . . 6.0 114.713 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 31.1 p -74.47 -15.36 60.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.489 1.515 . . . . 6.0 113.695 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -137.87 -37.37 0.59 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.662 1.185 . . . . 6.0 114.17 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.7 t0 20.05 86.64 0.07 OUTLIER Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 130.329 3.452 . . . . 6.0 115.597 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -48.32 -39.67 35.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.818 3.678 . . . . 6.0 115.416 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.73 -51.34 57.02 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.174 0.989 . . . . 6.0 110.987 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -64.24 -44.48 91.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.108 0.963 . . . . 6.0 111.783 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.94 -45.08 60.48 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.681 1.592 . . . . 6.0 110.886 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -67.18 -39.28 86.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.658 0.783 . . . . 6.0 112.246 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 41.7 mt -60.13 -47.79 84.44 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -42.22 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.434 1.47 . . . . 6.0 110.865 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -54.21 -48.03 71.48 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.31 0.959 . . . . 6.0 112.698 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.02 -47.66 83.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.166 0.986 . . . . 6.0 111.728 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -63.77 -44.36 93.66 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.369 0.986 . . . . 6.0 111.162 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.34 -56.81 13.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.811 0.845 . . . . 6.0 109.998 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -40.33 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 113.345 0.869 . . . . 6.0 113.345 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.78 -40.45 83.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.048 0.84 . . . . 6.0 111.507 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.94 -43.96 86.51 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.495 0.589 . . . . 6.0 110.877 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.32 -42.98 82.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.098 0.559 . . . . 6.0 111.336 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -62.45 -59.06 5.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.068 0.461 . . . . 6.0 110.011 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.87 67.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -55.7 -52.8 62.66 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 120.397 1.453 . . . . 6.0 111.489 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.12 -33.52 50.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 6.0 111.279 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.59 -35.49 79.71 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.976 0.807 . . . . 6.0 111.728 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.98 -40.93 95.34 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.41 -1.431 . . . . 6.0 110.234 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -65.1 -45.53 84.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.966 1.307 . . . . 6.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -57.94 -46.01 85.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.986 2.114 . . . . 6.0 111.708 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -68.25 -48.63 64.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.352 1.461 . . . . 6.0 111.916 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -62.66 -32.59 73.68 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.766 0.827 . . . . 6.0 112.557 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.29 44.12 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.372 0.879 . . . . 6.0 113.372 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -132.42 33.72 3.8 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.169 1.788 . . . . 6.0 110.537 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 71.64 -76.37 0.67 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.988 2.232 . . . . 6.0 114.985 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -154.63 28.77 0.43 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.856 1.262 . . . . 6.0 112.238 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.11 137.99 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 120.834 -1.166 . . . . 6.0 113.988 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.94 29.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.633 1.573 . . . . 6.0 113.033 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.68 63.52 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.75 1.759 . . . . 6.0 115.75 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.5 t -83.58 -177.89 6.86 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.034 1.124 . . . . 6.0 114.034 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 90.8 p -154.14 -4.0 0.17 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.559 2.059 . . . . 6.0 116.559 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.18 124.98 82.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 120.705 1.593 . . . . 6.0 110.934 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -46.22 -26.33 3.74 Favored 'Trans proline' 0 C--N 1.354 0.86 1 C-N-CA 125.785 4.323 . . . . 6.0 118.218 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.77 18.82 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.279 1.432 . . . . 6.0 113.552 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.04 -51.96 60.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.759 0.79 . . . . 6.0 110.097 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.11 78.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.688 1.595 . . . . 6.0 113.481 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 33.0 m -62.98 -49.81 73.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.167 0.987 . . . . 6.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.2 mmt -65.37 -45.68 83.15 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.079 0.952 . . . . 6.0 111.461 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -55.11 -41.96 72.31 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.965 1.257 . . . . 6.0 111.94 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -63.34 -46.14 88.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.12 0.568 . . . . 6.0 111.604 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.58 -41.33 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.56 1.144 . . . . 6.0 111.85 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.21 -48.79 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.51 1.924 . . . . 6.0 112.334 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -58.86 -39.91 82.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.818 -0.551 . . . . 6.0 110.669 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -62.5 -53.37 55.73 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.987 0.915 . . . . 6.0 110.635 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 57.9 mtp -52.17 -35.83 49.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.398 1.879 . . . . 6.0 113.632 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 27.6 m -64.23 -13.59 50.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.883 1.273 . . . . 6.0 113.051 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -129.99 -18.77 3.32 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.821 1.248 . . . . 6.0 114.231 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.49 134.77 57.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.771 1.228 . . . . 6.0 112.983 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -123.47 -0.67 8.68 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.549 1.54 . . . . 6.0 113.38 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.13 -20.23 49.12 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.828 0.851 . . . . 6.0 113.131 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 40.47 -114.67 0.55 Allowed Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.518 2.009 . . . . 6.0 114.702 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -55.31 -12.49 1.04 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.254 1.946 . . . . 6.0 116.254 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -120.17 9.56 11.14 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.873 1.669 . . . . 6.0 113.614 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.54 148.57 41.69 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.63 1.172 . . . . 6.0 113.085 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -80.21 -16.13 55.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.085 1.354 . . . . 6.0 113.544 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.13 110.2 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.088 0.955 . . . . 6.0 109.148 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.95 62.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -81.42 -26.16 35.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.556 1.317 . . . . 6.0 114.556 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.43 -68.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.929 1.695 . . . . 6.0 113.91 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.83 75.81 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.57 -0.706 . . . . 6.0 112.193 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 48.0 t -62.12 -52.72 62.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.694 0.797 . . . . 6.0 110.454 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 72.8 m -58.47 -45.35 88.79 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.708 1.603 . . . . 6.0 112.317 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -56.21 -43.14 78.24 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.488 -0.757 . . . . 6.0 111.83 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -72.65 -41.95 64.9 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.81 0.67 . . . . 6.0 112.81 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.07 -41.64 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.075 -1.016 . . . . 6.0 113.221 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.96 -47.21 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.714 1.206 . . . . 6.0 110.345 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.5 m -56.48 -25.76 52.13 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.037 1.495 . . . . 6.0 115.037 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -69.25 -61.21 1.88 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.647 1.112 . . . . 6.0 110.441 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -57.43 -32.31 66.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.939 1.295 . . . . 6.0 112.566 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -57.63 -22.38 45.16 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.566 1.321 . . . . 6.0 114.566 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -129.3 -28.36 2.34 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -172.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.43 139.2 57.97 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.727 1.149 . . . . 6.0 113.213 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.2 p -133.22 -5.2 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.94 1.696 . . . . 6.0 113.525 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.18 116.79 4.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.587 1.555 . . . . 6.0 110.923 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -66.02 -8.23 21.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.724 1.75 . . . . 6.0 115.724 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -127.12 15.0 7.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.952 1.301 . . . . 6.0 113.558 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.09 127.13 69.1 Favored Pre-proline 0 CA--C 1.55 0.946 0 N-CA-C 107.109 -1.441 . . . . 6.0 107.109 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.92 -43.1 32.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.233 1.955 . . . . 6.0 111.683 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.31 -51.67 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-O 117.888 -1.053 . . . . 6.0 111.217 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.656 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 73.6 m -69.97 -29.04 66.06 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.639 1.718 . . . . 6.0 115.639 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 65.2 tp -41.77 -54.26 7.02 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 121.133 1.788 . . . . 6.0 115.275 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.23 -34.35 98.49 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 CA-C-N 122.088 1.782 . . . . 6.0 113.261 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.31 -43.38 56.98 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.939 1.245 . . . . 6.0 111.4 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.656 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 42.7 mttt -60.43 -31.59 70.55 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.3 1.44 . . . . 6.0 109.905 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -77.68 -45.12 25.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.604 1.561 . . . . 6.0 110.632 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.16 -24.17 39.54 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.922 1.689 . . . . 6.0 113.343 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 75.9 p -113.38 10.49 18.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.615 1.966 . . . . 6.0 113.982 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.16 155.0 34.98 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.81 1.244 . . . . 6.0 112.114 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.26 -21.39 62.11 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.802 1.408 . . . . 6.0 114.802 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 . . . . . 0 N--CA 1.482 1.132 0 C-N-CA 125.39 1.476 . . . . 6.0 112.59 -179.254 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 N-CA-C 114.695 0.638 . . . . 6.0 114.695 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 64.5 p -68.49 -23.34 64.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.184 1.394 . . . . 6.0 114.135 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -147.94 -32.94 0.26 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.912 1.685 . . . . 6.0 111.889 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 58.7 ttm -151.82 147.5 26.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.24 1.816 . . . . 6.0 109.136 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 28.5 m -62.49 146.09 94.03 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 123.522 0.729 . . . . 6.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -73.0 153.57 52.49 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.863 2.375 . . . . 6.0 112.122 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.48 114.77 18.75 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.471 1.508 . . . . 6.0 111.439 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -58.53 163.05 11.26 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 C-N-CA 123.152 2.568 . . . . 6.0 113.522 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.77 103.86 0.38 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.533 1.933 . . . . 6.0 113.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.37 124.43 39.85 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.116 1.766 . . . . 6.0 109.796 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -55.05 122.5 11.81 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.612 2.208 . . . . 6.0 112.814 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -54.52 -34.3 61.47 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.461 1.282 . . . . 6.0 114.461 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.24 -25.99 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.555 -0.715 . . . . 6.0 112.749 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.99 -23.17 21.58 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.24 1.016 . . . . 6.0 112.14 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -58.38 -34.38 70.65 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.064 1.302 . . . . 6.0 111.159 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.84 -23.29 67.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.429 1.491 . . . . 6.0 113.734 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.67 121.97 18.92 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.47 0.708 . . . . 6.0 110.523 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -68.65 117.95 11.03 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.899 -1.148 . . . . 6.0 107.899 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.11 -5.11 58.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.588 1.555 . . . . 6.0 114.916 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.16 -44.68 99.82 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 120.082 1.31 . . . . 6.0 113.159 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.61 -36.6 74.84 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.267 1.978 . . . . 6.0 111.894 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -17.35 64.32 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.779 1.029 . . . . 6.0 113.779 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.78 -24.69 9.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.33 1.423 . . . . 6.0 114.09 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.13 -27.45 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 118.793 0.724 . . . . 6.0 112.36 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.5 -10.17 54.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.466 1.907 . . . . 6.0 114.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 35.1 tpt85 -47.71 -24.71 1.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.249 2.315 . . . . 6.0 117.249 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -141.5 34.58 1.65 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.641 1.177 . . . . 6.0 111.553 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.2 m -131.2 20.77 4.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 156.98 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.845 0.858 . . . . 6.0 112.755 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -124.34 83.11 2.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.393 2.277 . . . . 6.0 109.53 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.19 -38.26 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.209 1.403 . . . . 6.0 112.662 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.53 -19.94 24.41 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.245 1.942 . . . . 6.0 116.245 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -102.8 -17.12 15.71 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.653 1.353 . . . . 6.0 114.653 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -43.06 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.085 0.954 . . . . 6.0 111.163 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 14.8 tpp -59.94 138.55 90.73 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.529 1.531 . . . . 6.0 113.814 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.97 16.29 0.55 Allowed 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 124.124 3.216 . . . . 6.0 114.28 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.264 0.8 OUTLIER 47.68 30.79 1.89 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 127.918 2.487 . . . . 6.0 116.401 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -79.27 -80.22 0.78 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.065 0.841 . . . . 6.0 113.549 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -159.04 151.58 17.87 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 125.852 1.661 . . . . 6.0 111.227 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.41 -45.56 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.186 1.924 . . . . 6.0 112.732 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.99 -24.16 66.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -63.07 -14.96 54.65 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.646 2.778 . . . . 6.0 111.598 175.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -55.34 -21.08 13.67 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.275 1.583 . . . . 6.0 115.275 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.05 -30.29 37.73 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-N 119.439 1.018 . . . . 6.0 114.87 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -133.02 -21.63 2.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.56 -21.95 61.81 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.815 1.413 . . . . 6.0 114.815 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 23.3 p -78.37 -54.4 6.23 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.328 1.973 . . . . 6.0 116.328 -172.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -171.45 173.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.453 2.301 . . . . 6.0 109.25 -175.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -134.45 166.88 21.84 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -52.7 -35.53 55.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.362 1.616 . . . . 6.0 115.362 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.88 -31.81 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.617 0.767 . . . . 6.0 111.245 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -22.31 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.072 2.149 . . . . 6.0 113.524 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.62 5.42 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.043 1.337 . . . . 6.0 113.201 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 2.4 t 52.92 53.36 12.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.8 1.64 . . . . 6.0 113.791 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -46.67 117.9 4.66 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.775 1.63 . . . . 6.0 112.021 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.55 -25.62 7.91 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.162 2.574 . . . . 6.0 115.23 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.459 1.104 . . . . 6.0 112.884 -178.734 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 113.675 0.991 . . . . 6.0 113.675 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.2 p -72.95 -17.75 61.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.467 1.507 . . . . 6.0 114.209 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -167.53 57.67 0.22 Allowed Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.402 -1.221 . . . . 6.0 115.157 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.66 -15.67 32.64 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.756 2.971 . . . . 6.0 115.45 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 81.5 p -124.26 13.66 8.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.994 1.718 . . . . 6.0 112.577 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -72.73 145.75 46.91 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.667 1.187 . . . . 6.0 114.079 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -161.46 97.96 1.27 Allowed Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.494 1.918 . . . . 6.0 107.822 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.55 -43.74 43.6 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.162 3.241 . . . . 6.0 115.68 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -71.02 -48.88 50.47 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.421 -0.799 . . . . 6.0 112.001 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.74 97.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.872 -0.517 . . . . 6.0 110.843 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -54.81 -46.4 74.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.407 1.483 . . . . 6.0 110.989 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.25 -34.78 79.18 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.502 -0.761 . . . . 6.0 112.122 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.14 -48.44 80.11 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.697 1.135 . . . . 6.0 113.426 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.71 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.494 1.497 . . . . 6.0 110.806 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -56.95 -47.18 81.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.697 1.135 . . . . 6.0 112.078 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.26 -46.48 80.33 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.007 0.923 . . . . 6.0 111.988 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.16 -44.9 94.19 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.406 1.457 . . . . 6.0 110.595 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.07 -56.91 12.59 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 6.0 110.706 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.52 -38.57 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.64 -38.12 80.51 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.227 0.921 . . . . 6.0 111.293 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.61 -44.73 81.27 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.881 0.764 . . . . 6.0 110.515 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.68 -43.47 76.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.956 0.502 . . . . 6.0 110.72 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -64.1 -58.36 6.88 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.866 0.466 . . . . 6.0 110.937 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.09 -33.64 62.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.904 1.075 . . . . 6.0 113.904 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -57.63 -58.77 6.87 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.117 0.872 . . . . 6.0 109.804 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.9 -41.21 95.62 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.991 1.316 . . . . 6.0 112.084 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.2 t -62.45 -42.34 99.39 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.262 1.025 . . . . 6.0 111.639 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.26 -19.71 65.57 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.022 1.329 . . . . 6.0 111.934 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -87.92 -9.98 51.96 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.517 1.527 . . . . 6.0 114.164 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -51.24 -43.17 61.44 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.252 1.842 . . . . 6.0 112.534 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -77.46 -14.92 59.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.076 1.139 . . . . 6.0 114.076 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -89.54 -39.08 13.53 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.457 1.503 . . . . 6.0 110.86 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -89.99 -17.22 28.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -138.41 -63.6 0.55 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.432 1.271 . . . . 6.0 114.432 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 165.32 178.05 38.18 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.828 0.728 . . . . 6.0 113.42 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.78 65.71 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 127.69 2.396 . . . . 6.0 117.348 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.72 137.4 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.189 1.796 . . . . 6.0 110.695 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.6 45.79 1.6 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.293 1.837 . . . . 6.0 111.617 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.16 12.18 0.09 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 127.852 2.461 . . . . 6.0 116.674 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 15.0 t -62.03 168.65 3.11 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.966 1.707 . . . . 6.0 114.929 -177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.4 m -143.09 3.8 1.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.911 2.085 . . . . 6.0 115.288 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 124.49 76.13 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 121.118 1.781 . . . . 6.0 109.76 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -43.24 -32.03 2.98 Favored 'Trans proline' 0 C--N 1.353 0.789 1 C-N-CA 125.721 4.28 . . . . 6.0 118.862 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -129.97 23.54 5.31 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.815 1.246 . . . . 6.0 112.944 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.19 -47.09 75.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.78 0.832 . . . . 6.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -36.08 79.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.49 1.116 . . . . 6.0 112.918 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 23.1 m -62.45 -49.52 75.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.847 1.259 . . . . 6.0 109.323 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.72 -47.37 75.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.048 0.939 . . . . 6.0 111.777 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -54.34 -43.55 71.34 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.69 1.132 . . . . 6.0 111.669 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -62.11 -46.76 87.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.121 0.568 . . . . 6.0 111.512 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.31 -36.61 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.449 1.1 . . . . 6.0 111.974 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.22 -48.3 57.65 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.874 1.67 . . . . 6.0 112.282 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.97 -40.64 94.16 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.934 -0.479 . . . . 6.0 110.322 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -60.85 -52.18 66.16 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.137 0.975 . . . . 6.0 110.903 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -34.65 46.73 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.078 1.751 . . . . 6.0 113.48 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 24.5 m -65.8 -8.75 23.29 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.388 1.075 . . . . 6.0 113.481 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -129.36 -25.11 2.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.228 1.411 . . . . 6.0 112.94 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 50.2 t -62.09 141.74 57.96 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.036 1.334 . . . . 6.0 112.146 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -130.75 8.75 4.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.2 1.8 . . . . 6.0 113.246 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 3.91 13.36 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.574 1.694 . . . . 6.0 115.574 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.37 -139.63 41.35 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 120.965 -1.084 . . . . 6.0 113.848 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -78.1 17.69 0.58 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.928 1.291 . . . . 6.0 113.698 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -130.89 14.71 5.28 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.046 1.499 . . . . 6.0 115.046 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.15 151.96 17.92 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.519 1.128 . . . . 6.0 113.777 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -69.79 -27.16 64.67 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.394 1.478 . . . . 6.0 111.678 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.5 109.77 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.23 -1.026 . . . . 6.0 108.23 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.11 21.39 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.384 1.624 . . . . 6.0 115.384 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -88.66 -19.96 25.52 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.455 1.279 . . . . 6.0 114.455 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 14.8 t -67.03 -64.4 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.04 1.291 . . . . 6.0 110.87 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.305 0.854 . . . . 6.0 113.305 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 10.5 p -70.23 -52.1 25.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 119.139 -0.458 . . . . 6.0 111.013 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -51.87 -49.03 63.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.134 0.974 . . . . 6.0 112.141 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -47.51 -41.4 20.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.694 1.998 . . . . 6.0 112.524 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -84.01 -42.36 16.28 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.155 1.382 . . . . 6.0 112.93 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -58.92 -43.95 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.641 1.176 . . . . 6.0 112.91 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.6 mt -58.11 -44.92 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.962 1.705 . . . . 6.0 109.747 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.0 m -57.9 -24.84 59.53 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.749 1.389 . . . . 6.0 114.749 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -72.34 -55.12 7.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.253 1.388 . . . . 6.0 110.652 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -59.19 -31.26 68.85 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.986 1.314 . . . . 6.0 112.689 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.42 -14.09 61.67 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.193 1.397 . . . . 6.0 114.409 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -131.35 -31.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . 0.406 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.9 t -68.77 138.88 55.19 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.557 1.071 . . . . 6.0 113.479 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 65.6 p -132.14 -3.12 3.53 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.68 1.992 . . . . 6.0 112.819 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.417 ' HE ' ' CB ' ' A' ' 426' ' ' CYS . 22.8 ttp-105 -60.94 106.45 0.58 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.894 2.477 . . . . 6.0 110.869 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -64.9 -1.83 2.25 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.664 1.727 . . . . 6.0 115.664 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.25 17.38 4.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.305 1.442 . . . . 6.0 112.756 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . 0.417 ' CB ' ' HE ' ' A' ' 423' ' ' ARG . 26.3 t -58.28 125.85 76.48 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.551 1.54 . . . . 6.0 109.986 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -40.62 56.66 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.295 2.664 . . . . 6.0 113.223 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 52.5 t -88.75 -49.17 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 117.07 -1.443 . . . . 6.0 112.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.629 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 37.0 m -71.42 -25.75 62.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 121.854 2.115 . . . . 6.0 115.631 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -39.26 -55.26 3.19 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 121.042 1.746 . . . . 6.0 114.885 -175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.98 -36.14 90.86 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.338 2.025 . . . . 6.0 113.451 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.76 -40.75 72.48 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.424 1.465 . . . . 6.0 111.198 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.629 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 40.1 mttt -64.61 -30.99 72.02 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.109 1.364 . . . . 6.0 109.531 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -73.37 -46.7 47.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.776 0.83 . . . . 6.0 109.846 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -54.93 -15.74 2.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.035 1.734 . . . . 6.0 114.228 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 80.7 p -132.53 -1.41 3.49 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.366 1.987 . . . . 6.0 116.366 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -153.58 33.78 0.45 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.05 1.13 . . . . 6.0 114.05 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -64.66 -9.24 18.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.258 -1.526 . . . . 6.0 114.672 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 128.808 2.843 . . . . 6.0 113.156 179.801 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.373 0 N-CA-C 114.508 0.563 . . . . 6.0 114.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 35.8 t -142.27 153.05 43.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.871 1.668 . . . . 6.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -58.59 -18.49 30.46 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.695 1.739 . . . . 6.0 115.695 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 11.7 tpt -69.42 -9.34 53.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.266 1.21 . . . . 6.0 114.266 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.83 157.67 64.07 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.231 2.212 . . . . 6.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.42 143.07 81.3 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 121.72 1.614 . . . . 6.0 109.884 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -52.34 109.84 1.62 Allowed Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.991 1.316 . . . . 6.0 112.954 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.52 162.03 25.78 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.786 2.324 . . . . 6.0 113.495 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.11 97.18 0.36 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.942 1.697 . . . . 6.0 114.292 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.3 tt -44.72 126.13 5.06 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 127.431 2.292 . . . . 6.0 111.5 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -52.46 125.95 19.26 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.409 2.739 . . . . 6.0 113.986 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -54.9 -33.8 62.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.787 1.235 . . . . 6.0 114.108 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.66 -28.24 67.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.131 -0.981 . . . . 6.0 112.001 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.11 -24.0 21.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.691 1.197 . . . . 6.0 112.832 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -52.76 -41.73 64.33 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 120.032 1.287 . . . . 6.0 111.77 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -69.38 -13.85 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.881 1.672 . . . . 6.0 114.556 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.6 mt -70.24 130.62 42.5 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.547 1.067 . . . . 6.0 111.128 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -71.14 105.75 3.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.694 0.798 . . . . 6.0 110.157 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.74 -9.02 53.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.051 1.34 . . . . 6.0 114.359 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.81 -46.2 99.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.249 1.386 . . . . 6.0 113.845 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.63 -23.63 26.64 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 121.844 1.696 . . . . 6.0 111.356 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.5 mtt -68.41 -16.79 64.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.356 1.062 . . . . 6.0 113.155 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.05 -24.45 6.74 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.339 1.237 . . . . 6.0 114.339 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.8 pt -63.56 -30.15 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 119.172 0.897 . . . . 6.0 112.174 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -83.7 -12.68 55.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.776 1.631 . . . . 6.0 114.519 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -48.17 -28.23 2.85 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.063 1.875 . . . . 6.0 116.063 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -134.07 35.21 3.29 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.553 1.069 . . . . 6.0 112.112 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.1 m -135.13 19.77 3.43 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.33 1.974 . . . . 6.0 116.33 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.66 156.03 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.22 0.918 . . . . 6.0 112.686 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -123.85 86.43 2.57 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.54 2.336 . . . . 6.0 108.863 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -48.7 -36.59 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.89 1.276 . . . . 6.0 112.908 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.62 -20.01 21.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.315 1.968 . . . . 6.0 116.315 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -99.53 -18.0 17.61 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.758 1.392 . . . . 6.0 114.758 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -42.68 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.633 1.173 . . . . 6.0 111.869 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.9 tpp -61.11 140.31 94.2 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 126.159 1.784 . . . . 6.0 114.771 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.03 -7.54 8.11 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.858 3.039 . . . . 6.0 115.618 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 63.5 t30 54.87 37.33 28.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.954 2.102 . . . . 6.0 114.293 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -92.65 -61.54 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.142 0.877 . . . . 6.0 112.775 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -166.27 155.29 10.2 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.389 1.876 . . . . 6.0 111.714 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.64 -36.62 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.157 1.904 . . . . 6.0 111.505 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.1 -11.48 40.32 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.271 1.828 . . . . 6.0 113.117 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -11.42 18.32 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 129.187 2.995 . . . . 6.0 112.548 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -42.16 -34.17 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.209 2.203 . . . . 6.0 114.583 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -58.84 -24.99 58.49 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.281 1.42 . . . . 6.0 115.25 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -125.87 -21.92 4.28 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.601 1.56 . . . . 6.0 113.122 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.04 -28.78 69.83 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.494 1.518 . . . . 6.0 113.422 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 15.0 t -153.93 171.7 18.59 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.554 0.946 . . . . 6.0 113.554 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 81.7 t -14.07 114.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.018 1 C-N-CA 131.992 4.117 . . . . 6.0 113.689 174.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.93 -148.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 113.915 1.08 . . . . 6.0 113.915 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.6 -21.64 7.05 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 120.067 -1.646 . . . . 6.0 115.22 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 19.3 m -92.13 7.09 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.003 1.321 . . . . 6.0 113.235 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -124.62 -27.11 3.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.303 1.841 . . . . 6.0 115.592 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 9.7 m -69.28 77.93 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.752 1.221 . . . . 6.0 112.611 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 52.0 p 55.36 3.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 129.373 3.069 . . . . 6.0 117.399 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -147.03 155.42 47.27 Favored Pre-proline 0 N--CA 1.469 0.504 0 C-N-CA 127.601 2.361 . . . . 6.0 110.647 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -75.34 -1.95 11.95 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 123.672 2.915 . . . . 6.0 113.257 175.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 127.564 2.346 . . . . 6.0 113.961 -178.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.884 1.068 . . . . 6.0 113.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 73.7 p -68.14 -28.81 67.64 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.009 1.115 . . . . 6.0 114.009 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 165.51 -177.03 40.96 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.515 1.531 . . . . 6.0 112.558 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.8 -23.2 62.92 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.14 2.56 . . . . 6.0 113.078 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.6 p -69.51 -13.23 62.23 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.707 1.603 . . . . 6.0 113.782 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -67.25 -33.14 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.087 1.143 . . . . 6.0 114.087 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 27.2 t0 20.31 81.91 0.12 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 129.276 3.03 . . . . 6.0 114.88 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.15 -43.05 26.16 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.882 3.722 . . . . 6.0 114.919 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.54 -48.01 65.41 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.708 0.803 . . . . 6.0 111.804 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.36 -46.38 88.92 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.753 -0.592 . . . . 6.0 110.653 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -50.65 -45.67 58.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.483 1.513 . . . . 6.0 110.515 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -61.67 -44.95 95.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.106 0.963 . . . . 6.0 111.746 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.27 -51.43 69.82 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.692 1.367 . . . . 6.0 114.692 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -41.06 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 120.248 1.386 . . . . 6.0 110.999 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.22 -45.9 79.72 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.553 1.07 . . . . 6.0 112.124 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.18 -47.29 80.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.11 0.964 . . . . 6.0 112.089 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.17 -43.68 97.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.885 1.221 . . . . 6.0 110.696 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -53.42 56.91 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.541 0.736 . . . . 6.0 110.622 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.65 -39.06 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 113.33 0.863 . . . . 6.0 113.33 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.15 -40.24 89.14 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.294 0.952 . . . . 6.0 110.91 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.0 -45.78 84.17 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.896 0.478 . . . . 6.0 110.115 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.81 -35.16 70.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 6.0 112.541 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -69.8 -58.45 3.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.788 0.722 . . . . 6.0 109.887 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.97 64.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.281 . . . . 6.0 113.974 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -53.38 6.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.641 1.976 . . . . 6.0 112.388 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.14 -29.75 18.09 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.517 1.127 . . . . 6.0 112.291 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.13 -37.19 79.31 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.263 1.03 . . . . 6.0 111.285 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -59.28 -29.12 67.35 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.696 1.598 . . . . 6.0 112.042 173.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -89.99 -40.02 12.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 6.0 112.338 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -62.23 -35.03 77.66 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 119.456 1.025 . . . . 6.0 111.371 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.89 -42.1 86.09 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.135 0.974 . . . . 6.0 111.433 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.3 -32.51 73.26 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.113 -0.992 . . . . 6.0 111.583 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.68 -9.97 57.74 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.036 1.335 . . . . 6.0 113.771 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -138.35 81.24 1.84 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.911 1.684 . . . . 6.0 110.381 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -49.83 -22.72 4.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 125.154 1.359 . . . . 6.0 116.334 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -77.38 4.23 11.36 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 116.281 1.956 . . . . 6.0 116.281 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -142.73 142.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.88 1.272 . . . . 6.0 112.868 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 10.6 2.28 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.15 1.38 . . . . 6.0 113.806 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -164.07 160.83 22.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.593 1.557 . . . . 6.0 112.236 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 17.1 p -143.08 -173.09 3.82 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.858 1.663 . . . . 6.0 112.173 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.8 m -63.11 -17.56 62.44 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 116.971 2.212 . . . . 6.0 116.971 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.57 122.0 83.01 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 120.677 1.58 . . . . 6.0 111.929 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.02 -27.65 6.28 Favored 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 125.591 4.194 . . . . 6.0 118.392 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.3 22.23 5.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.232 1.413 . . . . 6.0 113.978 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.76 -50.74 69.59 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.288 -0.882 . . . . 6.0 112.319 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -27.14 66.66 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.676 -1.265 . . . . 6.0 113.4 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -63.3 -50.18 71.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.608 1.563 . . . . 6.0 108.535 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.29 -44.44 83.51 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.376 1.071 . . . . 6.0 112.253 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.51 -43.72 84.45 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 119.277 0.944 . . . . 6.0 111.929 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -65.42 -41.32 93.69 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.526 0.73 . . . . 6.0 111.56 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 13.4 t -64.43 -45.65 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.112 0.965 . . . . 6.0 110.69 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.63 -47.39 78.72 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 6.0 111.883 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.56 -42.8 83.75 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.929 -0.482 . . . . 6.0 110.988 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -60.74 -53.48 56.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.648 0.779 . . . . 6.0 110.531 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.1 mtp -52.66 -38.9 61.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.741 1.616 . . . . 6.0 112.954 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 11.1 m -61.65 -14.22 29.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.018 1.327 . . . . 6.0 113.54 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -128.72 -14.86 4.51 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.124 1.157 . . . . 6.0 114.124 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.1 t -66.01 129.0 38.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.785 1.634 . . . . 6.0 113.31 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -108.45 -8.74 15.51 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.716 1.206 . . . . 6.0 113.663 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.57 54.7 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.547 0.943 . . . . 6.0 113.547 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 36.34 -105.61 0.03 OUTLIER Glycine 0 CA--C 1.535 1.298 0 C-N-CA 126.964 2.221 . . . . 6.0 115.508 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -55.51 -13.08 1.34 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.898 1.814 . . . . 6.0 115.898 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -124.29 9.5 8.56 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.516 1.926 . . . . 6.0 113.524 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 49.1 t -61.03 148.17 41.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.906 1.283 . . . . 6.0 113.678 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -80.37 -22.53 41.27 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.562 1.545 . . . . 6.0 112.602 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.3 108.49 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.26 0.936 . . . . 6.0 109.248 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.2 61.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.976 1.472 . . . . 6.0 114.976 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.22 -20.55 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.27 1.211 . . . . 6.0 114.27 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.07 -65.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.177 1.353 . . . . 6.0 112.576 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.82 79.07 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.264 0.838 . . . . 6.0 113.264 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 20.7 p -65.6 -51.89 56.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.051 0.387 . . . . 6.0 110.643 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.0 m -52.67 -47.53 67.09 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.689 1.196 . . . . 6.0 112.361 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -55.3 -28.37 53.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.978 1.311 . . . . 6.0 113.321 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -90.17 -44.74 9.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.58 1.152 . . . . 6.0 112.044 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.47 -43.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.414 1.486 . . . . 6.0 114.095 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.53 -48.07 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.406 1.482 . . . . 6.0 109.969 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.1 m -56.75 -24.31 49.05 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.317 1.599 . . . . 6.0 115.317 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -67.47 -56.43 9.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.28 1.4 . . . . 6.0 109.71 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -58.25 -37.39 74.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.711 1.204 . . . . 6.0 112.774 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -61.01 -15.66 34.46 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.619 1.34 . . . . 6.0 114.619 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -128.78 -27.75 2.53 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.026 1.862 . . . . 6.0 116.026 -174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . 0.416 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.3 t -66.1 142.38 57.79 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.835 1.198 . . . . 6.0 113.216 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.7 p -130.42 -7.13 4.21 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.335 1.854 . . . . 6.0 113.203 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.401 ' HE ' ' CB ' ' A' ' 426' ' ' CYS . 23.4 ttp-105 -63.23 104.76 0.63 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.119 2.568 . . . . 6.0 111.091 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -63.92 -1.56 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.86 1.8 . . . . 6.0 115.86 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -132.87 20.14 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.624 1.57 . . . . 6.0 112.246 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . 0.401 ' CB ' ' HE ' ' A' ' 423' ' ' ARG . 43.8 t -55.9 128.17 69.98 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.757 1.623 . . . . 6.0 111.428 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.93 -27.76 36.71 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.932 2.421 . . . . 6.0 114.929 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.33 -47.46 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 116.862 -1.542 . . . . 6.0 111.082 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.59 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 21.9 m -69.67 -24.05 63.55 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.596 1.998 . . . . 6.0 114.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.5 tp -40.4 -55.76 4.01 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-N 121.909 2.141 . . . . 6.0 114.728 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.84 -41.37 76.19 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 121.996 1.797 . . . . 6.0 113.057 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.96 -39.73 87.31 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.264 1.393 . . . . 6.0 112.059 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.59 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.2 mttt -63.81 -40.57 96.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.701 1.2 . . . . 6.0 109.04 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.59 -44.99 80.7 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.203 1.001 . . . . 6.0 111.119 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -53.31 -19.41 3.27 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.456 2.302 . . . . 6.0 114.296 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' B' ' 818' ' ' ASN 0.282 0.3 OUTLIER -127.38 14.69 7.16 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 178.833 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -123.45 -16.2 6.89 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.241 1.416 . . . . 6.0 112.405 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -53.21 -34.95 59.21 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.612 1.565 . . . . 6.0 113.749 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 C-N-CA 126.398 1.879 . . . . 6.0 112.744 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 N-CA-C 114.874 0.709 . . . . 6.0 114.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 82.2 p -154.22 178.85 9.54 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.729 1.612 . . . . 6.0 112.3 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -127.63 25.01 6.09 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.738 1.615 . . . . 6.0 111.579 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -129.2 76.54 1.73 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.139 1.776 . . . . 6.0 110.537 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.3 144.22 52.37 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.345 1.058 . . . . 6.0 112.729 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.97 146.12 46.52 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.648 2.232 . . . . 6.0 113.127 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -152.23 98.88 2.89 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.319 1.848 . . . . 6.0 108.055 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.33 157.79 20.76 Favored 'Trans proline' 0 CA--C 1.548 1.211 0 C-N-CA 123.491 2.794 . . . . 6.0 112.835 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -70.22 101.96 2.0 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.938 1.295 . . . . 6.0 114.005 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -34.92 127.16 0.52 Allowed Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 129.343 3.057 . . . . 6.0 112.9 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.2 129.43 33.4 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.065 2.51 . . . . 6.0 114.267 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -47.94 -42.83 28.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.304 1.841 . . . . 6.0 114.903 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.79 -27.71 66.98 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.799 0.839 . . . . 6.0 113.037 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.04 -26.16 20.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.424 1.09 . . . . 6.0 112.804 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.94 -36.34 65.18 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.905 1.229 . . . . 6.0 111.905 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.79 -11.46 60.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.467 1.507 . . . . 6.0 114.724 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 28.6 mt -70.42 135.66 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.806 1.184 . . . . 6.0 110.898 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -73.3 108.41 6.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.643 -0.503 . . . . 6.0 109.643 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.6 p -90.71 -9.14 47.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.954 1.301 . . . . 6.0 114.406 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.67 -45.62 99.63 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.399 1.454 . . . . 6.0 112.995 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -61.95 -34.17 81.85 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.545 2.164 . . . . 6.0 112.214 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.7 -16.81 63.43 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.398 1.079 . . . . 6.0 113.664 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.84 -22.92 16.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.308 1.225 . . . . 6.0 114.308 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.46 -28.46 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.329 0.968 . . . . 6.0 111.71 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.75 -11.93 49.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.106 1.763 . . . . 6.0 114.221 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -48.11 -27.32 2.27 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.797 2.147 . . . . 6.0 116.797 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.03 31.18 3.28 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.606 1.562 . . . . 6.0 112.425 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.2 m -128.86 17.3 6.25 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.887 1.81 . . . . 6.0 115.887 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.77 149.91 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.074 0.852 . . . . 6.0 112.536 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -119.14 86.51 2.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.956 2.102 . . . . 6.0 106.878 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.3 mt -38.62 -47.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.568 1.947 . . . . 6.0 113.038 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.03 -20.08 26.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 116.506 2.039 . . . . 6.0 116.506 -174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -86.15 -25.77 25.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -42.36 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.589 1.956 . . . . 6.0 113.495 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 51.3 mmm -63.46 153.3 83.13 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 128.071 2.549 . . . . 6.0 116.946 -169.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -59.09 -21.4 58.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.718 3.612 . . . . 6.0 117.195 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.298 63.7 t30 52.26 64.62 1.78 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.919 1.688 . . . . 6.0 114.557 -176.741 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -138.99 -63.42 0.04 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.305 1.431 . . . . 6.0 112.984 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.74 137.14 9.92 Favored Pre-proline 0 N--CA 1.474 0.734 0 C-N-CA 125.74 1.616 . . . . 6.0 110.441 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -90.38 -33.99 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.819 2.346 . . . . 6.0 113.706 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.09 -19.53 63.07 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.958 1.303 . . . . 6.0 112.224 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -64.21 -13.71 50.68 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 130.116 3.366 . . . . 6.0 111.694 174.636 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -53.47 139.89 29.63 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.422 -1.423 . . . . 6.0 110.887 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . 108.01 -34.58 5.53 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.714 1.149 . . . . 6.0 110.658 -173.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -104.46 -12.1 16.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.151 1.78 . . . . 6.0 113.342 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -126.54 25.77 6.43 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.267 1.427 . . . . 6.0 111.865 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 2.0 p -124.46 172.29 9.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.821 2.048 . . . . 6.0 111.771 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 26.0 m -61.76 -5.34 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 117.839 2.533 . . . . 6.0 117.839 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -17.64 -47.23 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 120.348 3.462 . . . . 6.0 120.348 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.1 22.17 4.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.745 1.218 . . . . 6.0 112.781 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.0 11.97 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.841 1.656 . . . . 6.0 114.682 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.62 -9.07 0.64 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.831 1.652 . . . . 6.0 115.38 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 20.4 m -66.14 156.33 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.339 1.056 . . . . 6.0 112.239 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 63.6 p -62.08 -4.47 1.69 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.178 1.918 . . . . 6.0 116.178 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -133.43 70.86 76.6 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 126.82 2.048 . . . . 6.0 110.507 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.12 -16.5 28.57 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.42 3.413 . . . . 6.0 113.917 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.473 0.703 0 C-N-CA 125.855 1.662 . . . . 6.0 112.532 179.71 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 113.966 1.098 . . . . 6.0 113.966 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 59.0 p -131.72 20.0 4.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.142 1.777 . . . . 6.0 113.338 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -140.04 177.0 20.93 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.396 1.474 . . . . 6.0 113.766 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.24 -24.67 79.37 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.862 3.042 . . . . 6.0 114.207 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.6 p -65.75 -14.08 60.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 6.0 113.622 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.33 21.24 2.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.306 1.843 . . . . 6.0 112.146 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -47.87 110.74 1.47 Allowed Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.428 1.091 . . . . 6.0 112.849 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -54.16 -42.04 70.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.398 2.732 . . . . 6.0 114.599 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -43.3 67.22 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.684 -0.635 . . . . 6.0 111.997 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -62.41 -46.13 90.0 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.844 0.747 . . . . 6.0 109.588 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 34.2 ttp85 -50.08 -47.12 53.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.445 1.498 . . . . 6.0 110.611 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -66.02 -33.65 76.29 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.659 1.184 . . . . 6.0 113.754 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.23 -50.95 62.05 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.541 1.519 . . . . 6.0 112.776 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.49 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.955 1.252 . . . . 6.0 110.923 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.87 -47.27 80.84 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.601 1.092 . . . . 6.0 111.638 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.05 -43.69 74.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 117.949 -1.024 . . . . 6.0 113.587 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.36 -45.16 94.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.39 1.45 . . . . 6.0 110.463 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 53.7 tp -53.63 -51.49 62.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.415 1.086 . . . . 6.0 111.481 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 28.0 t -65.35 -40.53 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.72 0.637 . . . . 6.0 112.72 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.03 -41.01 86.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.546 0.612 . . . . 6.0 111.657 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.79 -47.67 79.97 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.867 0.758 . . . . 6.0 110.843 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.52 -39.39 76.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.578 0.751 . . . . 6.0 111.908 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -64.46 -58.32 6.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.452 0.569 . . . . 6.0 110.12 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.43 65.06 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.694 1.368 . . . . 6.0 114.694 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -54.51 -43.33 71.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.476 1.11 . . . . 6.0 111.94 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -88.9 -34.27 17.01 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.233 1.413 . . . . 6.0 111.584 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -61.59 -37.22 83.1 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.001 0.819 . . . . 6.0 112.155 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -58.48 -36.52 73.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.556 -1.34 . . . . 6.0 111.06 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 41.4 mmt-85 -63.66 -28.18 69.73 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.984 1.313 . . . . 6.0 111.689 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -70.76 -52.27 21.8 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.118 0.967 . . . . 6.0 109.747 174.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.11 -47.49 85.06 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.191 1.397 . . . . 6.0 113.505 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -59.51 -26.87 65.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.707 1.003 . . . . 6.0 113.707 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -89.97 -37.04 14.63 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.444 1.098 . . . . 6.0 112.32 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -70.88 -41.56 71.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.947 1.299 . . . . 6.0 114.156 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 168.93 18.13 0.02 OUTLIER Glycine 0 CA--C 1.537 1.429 0 N-CA-C 117.101 1.601 . . . . 6.0 117.101 -178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.47 39.53 31.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.812 1.645 . . . . 6.0 113.888 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.0 p -141.16 151.98 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.647 1.179 . . . . 6.0 112.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -57.05 115.31 2.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.38 1.072 . . . . 6.0 110.562 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -137.32 43.96 2.3 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.243 1.417 . . . . 6.0 112.617 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 6.0 t -133.62 -174.42 3.51 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.278 1.431 . . . . 6.0 113.016 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 m -134.2 -6.99 2.65 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.824 2.049 . . . . 6.0 114.808 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 125.2 86.49 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-N 120.417 1.462 . . . . 6.0 108.18 176.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -39.63 -30.55 0.34 Allowed 'Trans proline' 0 CA--C 1.54 0.8 1 C-N-CA 125.831 4.354 . . . . 6.0 119.299 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.16 22.07 4.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.794 1.237 . . . . 6.0 113.189 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.16 -50.34 67.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.892 0.877 . . . . 6.0 110.929 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -36.38 76.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.287 1.035 . . . . 6.0 112.781 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 89.4 m -64.02 -49.38 72.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.404 1.082 . . . . 6.0 109.714 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.6 mmt -64.57 -46.03 84.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.217 0.607 . . . . 6.0 111.399 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.289 1.036 . . . . 6.0 111.517 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -63.74 -45.48 89.67 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.745 0.818 . . . . 6.0 111.337 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.8 -39.1 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.346 1.059 . . . . 6.0 111.61 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.7 -45.65 67.77 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.673 1.589 . . . . 6.0 112.128 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -64.5 -37.18 86.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.193 0.197 . . . . 6.0 110.676 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.81 -49.69 76.47 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.621 -0.674 . . . . 6.0 109.213 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 68.0 mtp -51.72 -39.61 58.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.356 1.463 . . . . 6.0 111.952 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -4.44 6.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.99 -18.33 3.38 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.381 1.473 . . . . 6.0 112.71 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 54.1 t -63.43 145.56 55.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.405 1.482 . . . . 6.0 111.674 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -136.87 5.09 2.82 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.71 2.004 . . . . 6.0 112.521 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -84.57 -6.02 59.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 115.258 1.577 . . . . 6.0 115.258 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.25 -136.21 43.2 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.305 0.955 . . . . 6.0 114.145 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.58 -5.73 6.15 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.566 1.691 . . . . 6.0 115.566 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -111.19 8.7 21.71 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.368 1.467 . . . . 6.0 114.381 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.61 146.39 30.63 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.439 1.096 . . . . 6.0 113.652 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -77.27 -20.57 54.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.131 1.372 . . . . 6.0 113.195 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.2 t -79.16 112.47 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.293 0.951 . . . . 6.0 108.837 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.86 29.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.062 1.875 . . . . 6.0 116.062 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -90.08 -25.01 20.98 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.316 1.228 . . . . 6.0 114.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 40.1 t -59.58 -65.35 0.69 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.482 1.513 . . . . 6.0 113.378 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.17 69.46 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.627 -0.671 . . . . 6.0 112.465 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.1 m -67.65 -47.63 68.98 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.992 -0.443 . . . . 6.0 111.37 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -57.5 -45.7 84.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.256 1.423 . . . . 6.0 111.541 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -50.65 -43.57 57.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.123 0.969 . . . . 6.0 112.393 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -79.11 -43.61 23.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.767 0.827 . . . . 6.0 111.976 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -56.12 -44.44 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.153 0.981 . . . . 6.0 112.407 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.2 -58.28 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.552 1.141 . . . . 6.0 110.103 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -54.18 -27.2 32.41 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.77 -63.36 1.08 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.091 0.86 . . . . 6.0 110.688 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -56.01 -41.01 74.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.236 1.014 . . . . 6.0 112.938 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -65.15 -9.88 26.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.504 1.522 . . . . 6.0 114.303 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -130.54 -27.35 2.17 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.848 1.796 . . . . 6.0 115.848 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.87 113.05 2.83 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.06 1.3 . . . . 6.0 112.902 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.9 p -90.75 -9.81 45.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.958 1.303 . . . . 6.0 113.632 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -62.74 116.24 5.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 6.0 112.996 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.2 -4.26 20.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.548 0.739 . . . . 6.0 112.805 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.2 14.73 7.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.671 1.588 . . . . 6.0 114.163 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.0 t -56.7 130.56 77.75 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.325 1.05 . . . . 6.0 111.961 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -57.5 -19.4 36.28 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.456 2.771 . . . . 6.0 115.343 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.26 -39.22 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.791 1.178 . . . . 6.0 111.372 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.644 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.6 m -74.71 -28.01 60.62 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.596 1.544 . . . . 6.0 113.985 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.3 tp -41.14 -54.95 5.38 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 121.225 1.83 . . . . 6.0 115.144 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -59.84 -32.62 95.66 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 CA-C-N 121.735 1.656 . . . . 6.0 113.042 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -38.78 61.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.284 1.402 . . . . 6.0 111.589 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.644 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 49.3 mttt -63.29 -31.41 72.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.91 1.284 . . . . 6.0 109.696 176.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -71.43 -55.75 7.3 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.453 -0.943 . . . . 6.0 108.453 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -48.05 -42.54 28.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.286 1.834 . . . . 6.0 115.045 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.5 OUTLIER -84.41 10.23 11.25 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.383 1.253 . . . . 6.0 114.383 -177.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -143.87 -53.83 0.35 Allowed 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.649 -1.282 . . . . 6.0 113.612 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -148.05 97.87 2.85 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 127.255 2.222 . . . . 6.0 109.524 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 125.057 1.343 . . . . 6.0 112.818 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.487 0 N-CA-C 114.647 0.619 . . . . 6.0 114.647 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 27.7 m -71.5 -6.6 41.75 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.633 1.573 . . . . 6.0 114.761 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -61.28 154.64 23.17 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.189 1.396 . . . . 6.0 113.5 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.76 173.13 11.79 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.056 1.742 . . . . 6.0 111.274 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.27 151.27 74.7 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 125.607 1.563 . . . . 6.0 111.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.92 81.08 2.48 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.763 2.975 . . . . 6.0 112.871 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.01 83.65 62.93 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.825 1.65 . . . . 6.0 111.912 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.78 156.75 41.39 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.026 2.484 . . . . 6.0 111.015 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.53 100.27 2.21 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.04 1.126 . . . . 6.0 114.04 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -33.49 126.72 0.43 Allowed Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 129.862 3.265 . . . . 6.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -56.16 129.88 37.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.825 2.35 . . . . 6.0 114.169 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -50.12 -41.75 49.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.764 1.626 . . . . 6.0 115.25 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -66.87 -24.58 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.27 -0.893 . . . . 6.0 113.003 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.13 -25.15 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.418 1.087 . . . . 6.0 112.603 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.05 -37.53 71.93 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 120.176 1.353 . . . . 6.0 111.519 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.85 -14.9 62.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.609 1.564 . . . . 6.0 114.254 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 27.0 mt -70.06 137.27 51.1 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.606 1.094 . . . . 6.0 111.22 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -73.26 103.75 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.57 0.748 . . . . 6.0 109.753 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.4 p -86.06 -9.71 56.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.671 1.188 . . . . 6.0 113.698 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.12 -49.32 94.65 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 120.217 1.372 . . . . 6.0 114.107 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.23 -23.68 28.37 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-N 121.57 1.596 . . . . 6.0 111.052 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.98 -16.93 64.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.455 1.102 . . . . 6.0 113.283 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.07 -18.51 5.48 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.064 1.505 . . . . 6.0 115.064 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 17.8 pt -67.91 -32.7 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 119.077 0.853 . . . . 6.0 111.391 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.51 -15.53 56.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.118 1.767 . . . . 6.0 114.394 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -27.86 0.21 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 117.875 2.546 . . . . 6.0 117.875 -172.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 35.25 1.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.294 1.438 . . . . 6.0 112.053 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.0 m -128.37 19.01 6.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.457 1.651 . . . . 6.0 115.457 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.63 155.16 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 6.0 111.852 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -122.95 86.16 2.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.569 1.947 . . . . 6.0 107.827 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.84 -42.41 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.72 1.608 . . . . 6.0 112.93 -172.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -85.16 -19.98 30.95 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.557 1.688 . . . . 6.0 115.557 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.3 -19.69 21.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.518 1.508 . . . . 6.0 114.884 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -42.87 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.16 0.984 . . . . 6.0 111.866 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 3.8 tpp -72.01 135.9 82.52 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.372 1.069 . . . . 6.0 113.812 -175.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.0 20.2 0.65 Allowed 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 124.482 3.454 . . . . 6.0 114.217 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.363 0.8 OUTLIER 45.28 47.04 10.36 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.209 2.204 . . . . 6.0 116.584 -178.872 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -77.6 -83.07 0.56 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.156 0.884 . . . . 6.0 111.653 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -160.02 143.31 10.28 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.417 1.487 . . . . 6.0 111.301 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -79.81 -43.7 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.076 2.517 . . . . 6.0 113.824 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.83 -20.93 66.18 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.335 1.054 . . . . 6.0 112.724 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -15.42 62.57 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 128.299 2.64 . . . . 6.0 111.149 174.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -53.4 -27.83 26.38 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.274 -1.516 . . . . 6.0 114.688 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -83.32 -28.96 34.76 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 120.694 1.588 . . . . 6.0 113.601 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.29 -30.76 69.84 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 107.639 -1.245 . . . . 6.0 107.639 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.41 -1.35 49.79 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 126.888 2.075 . . . . 6.0 112.229 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 828' ' ' THR . . . . . 0.466 ' C ' ' H ' ' B' ' 830' ' ' ASP . 0.9 OUTLIER 42.28 174.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 1 C-N-CA 133.631 4.772 . . . . 6.0 119.493 178.939 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.88 24.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 126.622 1.969 . . . . 6.0 114.222 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' B' ' 828' ' ' THR . 70.0 m-20 47.41 33.99 3.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.782 2.833 . . . . 6.0 113.516 -173.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -43.37 -33.57 1.06 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.928 2.891 . . . . 6.0 115.994 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.8 -2.68 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 126.638 1.975 . . . . 6.0 113.057 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -124.76 -34.29 2.85 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.872 2.069 . . . . 6.0 115.606 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 20.8 m -66.02 -12.01 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.269 1.428 . . . . 6.0 114.242 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 10.7 t -150.41 172.7 15.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.223 1.809 . . . . 6.0 111.749 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -58.19 118.18 25.38 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.142 1.777 . . . . 6.0 110.797 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.95 151.17 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.943 3.096 . . . . 6.0 114.25 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 124.875 1.27 . . . . 6.0 112.365 179.036 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.886 1.069 . . . . 6.0 113.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.1 m -58.62 -30.7 67.45 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.238 1.815 . . . . 6.0 113.705 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 174.74 -174.4 46.62 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 126.029 1.776 . . . . 6.0 111.432 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -63.66 -16.26 53.65 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.294 2.663 . . . . 6.0 113.687 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 29.5 p -80.78 -6.13 58.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.102 1.761 . . . . 6.0 114.146 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -130.6 143.16 50.57 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.978 1.263 . . . . 6.0 112.011 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -152.03 101.34 2.84 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.642 1.177 . . . . 6.0 110.432 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.93 -29.58 27.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.718 3.612 . . . . 6.0 117.294 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.92 -47.78 8.3 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.514 1.052 . . . . 6.0 112.017 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -38.27 89.44 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.974 -0.454 . . . . 6.0 110.582 176.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.45 -44.99 81.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.425 1.49 . . . . 6.0 112.088 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.0 -39.54 95.09 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.012 0.823 . . . . 6.0 111.803 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.28 -49.06 78.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.004 1.112 . . . . 6.0 114.004 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -40.82 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.033 1.288 . . . . 6.0 110.94 175.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -57.43 -44.89 85.07 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.674 1.125 . . . . 6.0 112.682 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -65.95 -49.15 68.93 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.655 1.182 . . . . 6.0 111.769 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.49 -44.94 95.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.171 1.35 . . . . 6.0 110.512 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.11 -54.38 36.49 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.096 0.959 . . . . 6.0 111.613 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.21 -38.95 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.863 0.69 . . . . 6.0 112.863 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.05 -38.85 80.34 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.878 0.763 . . . . 6.0 111.328 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.5 -46.78 75.09 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.768 0.713 . . . . 6.0 111.28 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.27 -35.6 69.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.101 0.96 . . . . 6.0 111.347 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -71.17 -60.18 2.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.183 0.593 . . . . 6.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.66 -34.51 58.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.18 -58.75 7.28 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.32 1.418 . . . . 6.0 111.308 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -66.09 -32.79 74.46 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.678 -0.639 . . . . 6.0 111.724 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . 0.516 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 37.4 t -63.62 -39.97 95.71 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.568 0.747 . . . . 6.0 111.749 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.7 -34.81 76.43 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.695 -1.253 . . . . 6.0 110.031 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -66.82 -43.14 84.55 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.558 0.743 . . . . 6.0 110.633 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . 0.516 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 74.9 mtm180 -57.68 -43.74 85.3 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.066 0.947 . . . . 6.0 111.046 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.53 -51.25 66.25 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.146 0.978 . . . . 6.0 111.13 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.89 -29.89 69.84 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.901 0.88 . . . . 6.0 113.291 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -69.4 -9.81 55.17 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.429 1.27 . . . . 6.0 114.429 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -134.12 -49.36 0.8 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.347 1.059 . . . . 6.0 113.43 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 93.67 -15.1 63.83 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.245 1.402 . . . . 6.0 116.407 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.89 -0.66 4.21 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.0 1.9 . . . . 6.0 115.901 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.34 153.22 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.372 1.869 . . . . 6.0 110.588 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . 0.494 HH22 ' CB ' ' A' ' 384' ' ' CYS . 0.0 OUTLIER -134.49 -0.03 2.98 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.477 2.029 . . . . 6.0 116.477 -178.477 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . 56.72 43.5 25.17 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 118.949 2.944 . . . . 6.0 118.949 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . 0.414 ' CB ' HH22 ' A' ' 369' ' ' ARG . 12.4 p -161.0 175.44 12.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.888 1.275 . . . . 6.0 112.813 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 31.6 m -140.92 27.47 1.99 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.781 1.632 . . . . 6.0 113.731 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.86 125.84 48.63 Favored Pre-proline 0 CA--C 1.56 1.353 0 O-C-N 121.051 -1.031 . . . . 6.0 111.2 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -45.94 -30.59 7.24 Favored 'Trans proline' 0 CA--C 1.541 0.854 1 C-N-CA 125.49 4.127 . . . . 6.0 118.608 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.45 23.5 5.13 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.98 1.312 . . . . 6.0 112.801 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . 0.494 ' CB ' HH22 ' A' ' 377' ' ' ARG . 1.8 t -53.47 -46.32 69.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.126 1.37 . . . . 6.0 110.989 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -34.41 77.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.044 1.337 . . . . 6.0 113.289 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.9 m -62.27 -48.1 81.4 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.821 1.248 . . . . 6.0 108.903 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -65.09 -46.45 81.06 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.709 0.803 . . . . 6.0 111.916 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 56.7 mttp -53.52 -41.53 66.45 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 119.933 1.242 . . . . 6.0 112.384 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -66.0 -46.89 76.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.775 0.83 . . . . 6.0 111.71 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.39 -39.75 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.383 1.073 . . . . 6.0 111.514 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.3 mt -66.77 -49.97 64.21 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.089 1.756 . . . . 6.0 111.952 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -59.53 -42.08 91.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.78 -0.575 . . . . 6.0 110.846 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -59.23 -53.06 62.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.571 0.748 . . . . 6.0 110.432 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -35.72 47.92 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.949 1.7 . . . . 6.0 113.995 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 9.2 m -68.29 -10.56 55.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.135 0.974 . . . . 6.0 113.082 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -126.58 -19.87 4.48 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.355 1.462 . . . . 6.0 113.597 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.26 147.84 49.89 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.31 1.444 . . . . 6.0 112.291 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -137.87 7.1 2.7 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.878 1.671 . . . . 6.0 112.986 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.3 -5.93 55.57 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.326 1.232 . . . . 6.0 114.326 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.56 -136.34 47.15 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.573 1.083 . . . . 6.0 113.964 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.28 -7.75 10.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.174 1.546 . . . . 6.0 115.174 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -107.84 6.18 27.19 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.492 1.517 . . . . 6.0 114.28 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.64 141.47 48.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.876 0.846 . . . . 6.0 112.33 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -78.37 -15.68 58.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.762 1.225 . . . . 6.0 113.23 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.16 110.17 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.825 -1.176 . . . . 6.0 107.825 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.99 17.42 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.745 1.758 . . . . 6.0 115.745 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.02 -14.77 33.23 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.659 1.355 . . . . 6.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.86 -65.36 0.73 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.208 1.367 . . . . 6.0 111.442 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.94 -33.47 62.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.977 0.732 . . . . 6.0 112.977 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 8.2 p -70.51 -53.76 14.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.108 -0.472 . . . . 6.0 110.995 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 70.4 m -51.96 -46.95 64.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.169 0.988 . . . . 6.0 112.816 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -52.78 -34.57 53.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.637 1.975 . . . . 6.0 113.22 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -90.0 -42.43 11.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.963 1.305 . . . . 6.0 112.626 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.82 -45.41 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.898 1.279 . . . . 6.0 112.808 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.53 -51.3 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.426 1.49 . . . . 6.0 111.126 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.3 m -56.57 -31.0 63.8 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.856 1.428 . . . . 6.0 114.856 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -63.21 -57.5 10.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.162 0.892 . . . . 6.0 110.705 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -56.74 -32.62 65.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.352 1.461 . . . . 6.0 112.986 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -71.71 -9.95 59.04 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.861 1.43 . . . . 6.0 114.861 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -127.78 -29.57 2.59 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.19 1.552 . . . . 6.0 115.19 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.7 t -68.64 140.29 55.49 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.465 1.029 . . . . 6.0 112.779 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 59.8 p -132.0 -7.19 3.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.887 1.675 . . . . 6.0 113.419 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.65 116.78 6.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.612 1.565 . . . . 6.0 110.087 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.28 -22.59 66.3 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.801 0.667 . . . . 6.0 112.801 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -102.91 13.91 33.21 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.88 1.067 . . . . 6.0 113.88 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.74 126.2 79.49 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 105.33 -2.1 . . . . 6.0 105.33 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.73 -39.16 35.83 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.775 1.65 . . . . 6.0 111.281 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.78 -52.13 18.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.591 1.156 . . . . 6.0 110.938 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.708 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 87.8 m -69.77 -31.47 69.43 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.744 1.757 . . . . 6.0 115.744 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 59.4 tp -41.25 -53.3 6.85 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 120.8 1.636 . . . . 6.0 115.32 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.05 -38.26 88.39 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 CA-C-N 122.32 1.864 . . . . 6.0 113.124 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.35 -42.06 72.34 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.38 1.445 . . . . 6.0 111.519 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.708 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 36.3 mttt -61.63 -36.4 80.67 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.781 1.232 . . . . 6.0 109.427 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -69.56 -48.17 61.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.85 0.86 . . . . 6.0 110.442 172.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -54.32 -19.12 4.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.941 2.096 . . . . 6.0 114.197 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 73.2 p -124.19 7.97 8.52 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.504 1.522 . . . . 6.0 114.915 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -152.41 -24.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.896 1.813 . . . . 6.0 115.896 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -120.29 -31.05 4.47 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.331 1.604 . . . . 6.0 115.331 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 . . . . . 0 N--CA 1.48 1.072 0 C-N-CA 125.776 1.63 . . . . 6.0 112.628 -178.144 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.474 0 N-CA-C 114.777 0.671 . . . . 6.0 114.777 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 80.5 p -70.05 -14.32 62.63 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.477 1.511 . . . . 6.0 114.536 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -151.97 166.14 32.46 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.454 1.902 . . . . 6.0 111.468 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.31 145.43 55.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.848 0.859 . . . . 6.0 111.899 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.0 m -142.08 152.28 61.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.581 1.553 . . . . 6.0 111.622 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.33 174.86 10.84 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 123.365 2.71 . . . . 6.0 112.644 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -45.76 109.24 0.92 Allowed Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 126.726 2.011 . . . . 6.0 114.873 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 160.28 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.768 2.312 . . . . 6.0 113.227 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.68 113.48 3.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.902 1.681 . . . . 6.0 113.692 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.28 126.61 78.87 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 125.858 1.663 . . . . 6.0 110.567 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -56.27 128.01 28.37 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.451 2.101 . . . . 6.0 113.445 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -48.41 -45.22 35.77 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.587 1.555 . . . . 6.0 114.354 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.06 -24.02 67.34 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.672 0.989 . . . . 6.0 113.672 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.2 -24.16 21.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.262 1.025 . . . . 6.0 113.103 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -56.06 -39.59 72.26 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 120.254 1.388 . . . . 6.0 111.702 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.26 -16.01 64.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.415 1.486 . . . . 6.0 114.497 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.74 128.14 35.6 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.559 1.072 . . . . 6.0 110.857 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -69.98 104.6 2.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.613 0.765 . . . . 6.0 110.118 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.56 -10.3 57.53 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.61 -49.92 88.49 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.495 1.498 . . . . 6.0 114.354 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.4 -22.57 28.99 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 CA-C-N 121.418 1.542 . . . . 6.0 111.818 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 30.9 mtt -67.43 -16.67 64.36 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.382 1.073 . . . . 6.0 113.108 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.79 -22.17 8.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.809 1.411 . . . . 6.0 114.809 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 29.8 pt -62.56 -30.93 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 119.389 0.995 . . . . 6.0 111.672 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -84.78 -10.18 57.46 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.413 1.885 . . . . 6.0 114.334 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -48.63 -22.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 117.31 2.337 . . . . 6.0 117.31 -173.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.07 33.87 1.36 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.151 1.38 . . . . 6.0 112.377 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.1 m -131.66 22.39 4.66 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.341 1.978 . . . . 6.0 116.341 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -142.08 151.36 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.214 0.915 . . . . 6.0 113.029 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -116.85 82.89 1.88 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.043 2.137 . . . . 6.0 108.856 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.05 -36.03 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.963 1.305 . . . . 6.0 112.459 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.42 -19.78 20.96 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.476 2.028 . . . . 6.0 116.476 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -99.1 -17.98 17.94 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.224 1.374 . . . . 6.0 114.392 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.509 1.123 . . . . 6.0 111.479 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.3 140.74 97.75 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.024 1.73 . . . . 6.0 114.33 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 13.37 0.91 Allowed 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 124.224 3.283 . . . . 6.0 114.858 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.28 0.8 OUTLIER 48.5 31.39 2.84 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.733 2.413 . . . . 6.0 117.185 178.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -84.67 -80.59 1.08 Allowed Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.033 0.825 . . . . 6.0 113.393 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.04 151.17 19.78 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 126.347 1.859 . . . . 6.0 110.185 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -72.76 -49.79 0.24 Allowed 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.048 1.832 . . . . 6.0 113.789 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.18 -28.64 69.28 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.811 1.244 . . . . 6.0 112.814 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -31.43 67.3 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.683 2.393 . . . . 6.0 111.057 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.41 -17.29 29.31 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.762 1.393 . . . . 6.0 114.762 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -54.78 -30.91 53.48 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.111 0.862 . . . . 6.0 113.058 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -126.47 -15.44 5.6 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.319 1.448 . . . . 6.0 113.831 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.7 -19.07 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.478 1.288 . . . . 6.0 114.478 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 8.3 t -160.35 166.47 29.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.623 1.169 . . . . 6.0 112.42 -174.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 13.9 m 30.63 67.34 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 C-N-CA 128.636 2.774 . . . . 6.0 116.008 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.76 169.2 2.6 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.852 1.797 . . . . 6.0 115.852 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.82 -44.79 63.66 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.423 -1.423 . . . . 6.0 113.12 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.89 -29.38 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.898 0.879 . . . . 6.0 111.815 175.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.6 -38.37 86.86 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.204 1.801 . . . . 6.0 112.932 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 16.3 m -101.26 -7.35 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.56 1.144 . . . . 6.0 112.709 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 19.5 t 65.29 -41.67 0.32 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.185 2.994 . . . . 6.0 115.308 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 33.96 66.11 1.37 Allowed Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 128.624 2.77 . . . . 6.0 115.337 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.68 -15.06 30.37 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 124.022 3.148 . . . . 6.0 113.263 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 75.8 p . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 125.473 1.509 . . . . 6.0 112.467 177.621 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 113.554 0.946 . . . . 6.0 113.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 14.8 t -148.05 -29.81 0.31 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.19 1.396 . . . . 6.0 113.558 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -172.32 52.82 0.17 Allowed Glycine 0 CA--C 1.537 1.454 0 CA-C-O 118.509 -1.162 . . . . 6.0 115.045 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.12 -23.54 75.65 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.089 2.526 . . . . 6.0 113.305 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 25.6 p -76.92 -4.81 45.77 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.85 1.66 . . . . 6.0 113.23 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -128.39 -35.31 1.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.92 1.288 . . . . 6.0 114.304 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.8 t70 14.99 91.79 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 130.047 3.339 . . . . 6.0 115.646 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.47 -41.04 23.41 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.96 3.773 . . . . 6.0 115.977 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.65 -47.92 36.3 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.351 -0.843 . . . . 6.0 112.0 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -40.99 95.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.711 -0.618 . . . . 6.0 109.886 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -54.78 -46.22 74.4 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.89 1.676 . . . . 6.0 110.755 173.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -63.87 -33.59 76.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.173 0.989 . . . . 6.0 112.362 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.04 -46.97 72.81 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.63 1.104 . . . . 6.0 113.563 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.39 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.5 1.5 . . . . 6.0 111.056 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.42 -48.32 71.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.371 0.987 . . . . 6.0 112.531 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -67.04 -42.53 84.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.176 -0.916 . . . . 6.0 112.748 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.909 1.232 . . . . 6.0 110.758 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.57 -57.01 12.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.877 0.871 . . . . 6.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 33.3 t -59.71 -40.72 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.98 -39.27 85.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.94 0.791 . . . . 6.0 111.736 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.45 -45.39 83.98 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.067 0.849 . . . . 6.0 110.688 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.18 -44.46 75.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.454 0.702 . . . . 6.0 111.342 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.39 -58.82 5.38 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.788 0.435 . . . . 6.0 110.471 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.19 -38.08 56.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.57 1.693 . . . . 6.0 115.57 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.4 -59.89 4.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.839 1.199 . . . . 6.0 111.12 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -68.58 -32.11 71.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.831 -0.604 . . . . 6.0 111.959 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.7 t -61.78 -40.12 94.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.859 0.754 . . . . 6.0 111.044 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -59.91 -41.39 91.61 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.854 -1.154 . . . . 6.0 109.474 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -60.68 -41.38 94.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.334 0.97 . . . . 6.0 111.711 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.64 -51.12 70.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.9 0.88 . . . . 6.0 110.777 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.84 -33.45 68.47 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.896 0.879 . . . . 6.0 113.274 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.64 -41.55 95.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.946 1.298 . . . . 6.0 110.044 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.01 -28.36 62.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.047 0.939 . . . . 6.0 112.525 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.9 -28.54 66.77 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.27 1.028 . . . . 6.0 113.38 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 83.68 -16.45 31.05 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.289 1.424 . . . . 6.0 115.143 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -142.4 147.99 37.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.754 2.022 . . . . 6.0 109.646 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.18 152.68 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.638 1.175 . . . . 6.0 112.05 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 -33.98 0.3 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.273 1.429 . . . . 6.0 114.729 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -163.84 177.43 8.61 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.451 1.5 . . . . 6.0 112.354 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 49.6 t -141.51 170.85 14.94 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.443 2.297 . . . . 6.0 110.015 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 63.3 m -70.9 -24.12 62.41 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.242 1.417 . . . . 6.0 113.188 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.9 124.47 86.22 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.82 0.848 . . . . 6.0 111.291 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -43.29 -30.34 2.24 Favored 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.039 4.493 . . . . 6.0 118.269 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -131.19 21.26 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.721 1.208 . . . . 6.0 113.711 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 -47.69 65.42 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.377 -0.827 . . . . 6.0 111.652 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -34.83 75.21 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.565 1.146 . . . . 6.0 113.057 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.3 m -64.7 -50.59 66.35 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.482 1.113 . . . . 6.0 108.907 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -45.21 87.08 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.082 0.953 . . . . 6.0 111.133 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -56.22 -42.11 76.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.189 0.996 . . . . 6.0 112.03 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -65.52 -44.12 87.9 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.36 0.664 . . . . 6.0 111.704 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.99 -42.08 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.112 0.965 . . . . 6.0 110.965 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.52 -49.03 70.47 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.871 1.668 . . . . 6.0 112.163 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.83 -42.55 89.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.826 -0.547 . . . . 6.0 110.757 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -59.49 -53.81 53.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.541 0.737 . . . . 6.0 110.434 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 60.7 mtp -52.58 -35.27 53.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.122 1.769 . . . . 6.0 113.976 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 20.3 m -65.82 -14.44 61.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.41 1.084 . . . . 6.0 113.272 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -122.04 -28.77 4.35 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.067 1.347 . . . . 6.0 112.7 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.41 137.47 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.78 1.632 . . . . 6.0 111.769 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -129.15 -3.61 5.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 6.0 113.152 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.17 60.77 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.89 0.876 . . . . 6.0 112.627 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 38.67 -104.33 0.03 OUTLIER Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.91 2.195 . . . . 6.0 114.56 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -56.33 -13.45 2.19 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.59 1.7 . . . . 6.0 115.59 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -122.4 13.28 10.23 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.71 2.004 . . . . 6.0 113.581 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 17.9 t -66.05 178.76 1.05 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.836 1.254 . . . . 6.0 112.752 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -119.29 -12.67 9.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.95 2.1 . . . . 6.0 113.449 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.5 t -84.59 117.36 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.932 -1.136 . . . . 6.0 107.932 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.62 68.55 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.495 1.665 . . . . 6.0 115.495 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -82.99 -27.32 30.51 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.252 1.205 . . . . 6.0 114.252 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.08 -64.86 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.734 1.614 . . . . 6.0 113.005 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.63 78.2 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.89 0.7 . . . . 6.0 112.89 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 71.9 m -66.58 -45.32 79.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 122.129 -0.357 . . . . 6.0 111.565 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.9 m -59.39 -45.35 91.72 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.754 1.221 . . . . 6.0 111.722 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -39.09 33.98 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.988 1.715 . . . . 6.0 112.212 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -85.88 -41.58 14.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.72 1.208 . . . . 6.0 112.239 176.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -41.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.372 0.987 . . . . 6.0 112.555 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.31 -47.73 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.726 1.611 . . . . 6.0 110.45 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.1 t -54.74 -30.88 57.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.467 1.284 . . . . 6.0 114.467 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -68.49 -59.66 2.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.382 0.992 . . . . 6.0 111.964 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.91 -30.69 69.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.861 0.865 . . . . 6.0 112.392 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.89 -13.27 61.52 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.343 1.457 . . . . 6.0 114.383 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -134.16 -26.12 1.51 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.255 1.946 . . . . 6.0 116.255 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.0 t -64.47 149.66 48.1 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.868 1.213 . . . . 6.0 113.74 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 71.2 p -136.46 -3.49 2.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.541 1.936 . . . . 6.0 113.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -63.66 113.57 3.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.045 1.338 . . . . 6.0 111.97 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -68.49 -5.0 17.01 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.17 0.804 . . . . 6.0 113.17 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -128.55 15.95 6.5 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.402 1.881 . . . . 6.0 113.501 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.11 129.36 79.07 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.523 1.129 . . . . 6.0 109.225 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.09 -44.94 42.09 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.658 2.239 . . . . 6.0 111.635 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.44 -52.87 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.801 1.24 . . . . 6.0 112.001 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.618 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 33.6 m -70.13 -27.22 64.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -42.79 -53.27 10.14 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 120.917 1.689 . . . . 6.0 114.835 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.86 -35.75 98.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 CA-C-N 122.022 1.758 . . . . 6.0 113.353 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.21 -41.53 61.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.708 1.595 . . . . 6.0 111.732 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.618 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 45.5 mttt -63.99 -28.16 69.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.087 1.355 . . . . 6.0 110.353 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.3 -46.37 16.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.883 1.273 . . . . 6.0 109.849 171.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -51.46 -42.27 61.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.834 1.654 . . . . 6.0 113.056 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 64.9 p -80.53 4.72 17.45 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -146.28 -37.37 0.24 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.772 1.767 . . . . 6.0 115.772 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -151.4 48.88 0.82 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.71 1.204 . . . . 6.0 113.108 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 . . . . . 0 N--CA 1.483 1.19 0 C-N-CA 125.077 1.351 . . . . 6.0 114.57 -179.853 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.49 0 N-CA-C 114.753 0.661 . . . . 6.0 114.753 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 76.8 p -58.91 -16.63 18.54 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.987 1.715 . . . . 6.0 115.164 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -69.46 -9.72 54.92 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.293 1.437 . . . . 6.0 113.383 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 11.5 tpt -137.79 167.16 22.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.23 1.812 . . . . 6.0 111.233 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 25.7 m -130.37 149.68 74.06 Favored Pre-proline 0 N--CA 1.479 0.982 0 C-N-CA 125.504 1.522 . . . . 6.0 111.944 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -77.06 175.21 11.66 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.493 2.795 . . . . 6.0 113.434 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -50.65 116.97 7.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.951 2.1 . . . . 6.0 111.845 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.41 154.88 33.03 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.206 2.604 . . . . 6.0 112.892 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.0 106.66 1.08 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.814 1.245 . . . . 6.0 112.766 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.23 127.17 29.04 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 127.36 2.264 . . . . 6.0 110.831 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -52.17 124.77 15.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.236 2.624 . . . . 6.0 113.54 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -51.04 -37.64 46.61 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.464 1.283 . . . . 6.0 114.464 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.08 -28.79 69.7 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.974 0.91 . . . . 6.0 112.408 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.09 -28.18 19.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.521 1.129 . . . . 6.0 112.939 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -56.27 -37.49 69.9 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 120.319 1.418 . . . . 6.0 111.882 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -70.45 -13.22 62.03 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.102 1.361 . . . . 6.0 114.277 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 28.1 mt -68.15 132.37 47.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.82 1.191 . . . . 6.0 111.009 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.37 103.55 3.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.759 0.823 . . . . 6.0 109.297 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -5.19 59.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.667 1.587 . . . . 6.0 115.154 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.74 -42.96 98.21 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 114.35 1.241 . . . . 6.0 114.35 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.2 -26.87 12.18 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 122.11 1.789 . . . . 6.0 111.128 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -17.53 63.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 6.0 112.861 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -50.56 -24.33 3.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.601 1.334 . . . . 6.0 114.601 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.7 pt -68.91 -29.3 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 118.959 0.8 . . . . 6.0 112.348 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -83.53 -10.91 58.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.276 1.83 . . . . 6.0 114.038 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.38 -27.0 0.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.138 2.644 . . . . 6.0 118.138 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -147.8 37.44 0.89 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.434 1.015 . . . . 6.0 111.687 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.7 m -123.5 21.79 9.32 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.996 1.318 . . . . 6.0 114.068 -174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.9 t -143.6 153.96 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.477 1.111 . . . . 6.0 111.423 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -118.72 85.93 2.45 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.225 1.81 . . . . 6.0 107.65 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -48.7 -36.41 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.735 1.214 . . . . 6.0 111.885 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.51 -19.98 23.19 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.282 1.956 . . . . 6.0 116.282 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -98.91 -17.51 18.33 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.536 1.516 . . . . 6.0 114.992 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -39.78 85.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 6.0 110.738 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.6 139.56 86.45 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.341 1.456 . . . . 6.0 113.092 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.3 16.01 1.1 Allowed 'Trans proline' 0 CA--C 1.552 1.381 0 C-N-CA 124.252 3.301 . . . . 6.0 114.513 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.308 0.7 OUTLIER 48.74 34.04 4.84 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.309 2.244 . . . . 6.0 116.889 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -91.51 -65.75 1.15 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.503 0.573 . . . . 6.0 113.899 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . 0.413 ' H ' HD13 ' B' ' 823' ' ' LEU . 11.5 m-20 -157.78 159.07 30.68 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 125.163 1.385 . . . . 6.0 114.23 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -71.86 -35.92 6.83 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 121.296 1.331 . . . . 6.0 109.561 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.16 -13.54 62.05 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.108 2.163 . . . . 6.0 113.802 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . 0.413 HD13 ' H ' ' B' ' 820' ' ' ASP . 2.4 mt -51.28 -27.96 10.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.551 1.94 . . . . 6.0 112.443 175.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.9 -23.62 0.82 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.902 2.081 . . . . 6.0 114.162 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -62.37 -25.27 66.59 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.448 1.023 . . . . 6.0 114.439 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -138.64 -20.62 1.02 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.621 1.341 . . . . 6.0 114.621 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.12 -11.74 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.783 1.401 . . . . 6.0 114.783 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.1 t -153.68 -164.85 1.98 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.018 0.927 . . . . 6.0 113.372 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 27.9 m -36.98 157.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.036 1 C-N-CA 132.15 4.18 . . . . 6.0 116.239 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -142.75 173.29 11.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.243 1.417 . . . . 6.0 113.574 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -49.07 -44.33 41.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.419 1.487 . . . . 6.0 113.827 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.96 -27.78 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.899 0.88 . . . . 6.0 112.312 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -24.55 62.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.882 2.073 . . . . 6.0 113.046 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 16.9 m -119.48 12.62 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.2 1.8 . . . . 6.0 111.157 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . 0.266 28.0 p 47.45 7.76 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 130.417 3.487 . . . . 6.0 118.951 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.01 153.06 71.33 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 126.135 1.774 . . . . 6.0 111.374 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.13 -14.56 28.86 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.343 2.695 . . . . 6.0 114.488 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.472 0.672 0 C-N-CA 125.474 1.51 . . . . 6.0 111.959 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.864 0 N-CA-C 113.671 0.989 . . . . 6.0 113.671 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.3 p -65.17 -7.34 12.2 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.382 1.873 . . . . 6.0 115.663 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -166.45 174.96 41.95 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.684 1.135 . . . . 6.0 113.528 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.96 -27.4 79.67 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.637 2.891 . . . . 6.0 113.316 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 21.4 p -67.85 -4.97 14.38 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.833 1.653 . . . . 6.0 113.653 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -141.26 21.74 2.23 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.298 1.839 . . . . 6.0 111.266 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.82 110.76 4.13 Favored Pre-proline 0 CA--C 1.555 1.165 0 O-C-N 120.257 -1.527 . . . . 6.0 113.581 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.88 -42.64 65.0 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.031 3.154 . . . . 6.0 115.999 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.43 -47.36 67.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.289 -0.882 . . . . 6.0 111.435 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -41.34 98.73 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.851 0.46 . . . . 6.0 110.36 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -54.8 -47.62 73.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.063 1.345 . . . . 6.0 110.863 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.466 1.106 . . . . 6.0 112.431 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.01 -47.49 61.91 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.958 1.096 . . . . 6.0 113.958 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -39.0 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 120.368 1.44 . . . . 6.0 110.459 174.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.38 -48.17 77.43 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.131 0.878 . . . . 6.0 112.867 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -68.09 -44.22 76.74 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.18 -0.914 . . . . 6.0 112.462 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.87 -45.78 90.94 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.838 1.199 . . . . 6.0 110.597 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.63 -58.47 6.27 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.199 0.999 . . . . 6.0 110.663 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.9 t -60.23 -40.05 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 113.398 0.888 . . . . 6.0 113.398 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.72 -38.06 77.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.794 0.725 . . . . 6.0 111.61 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.11 -44.51 79.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.635 0.652 . . . . 6.0 110.541 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.63 -44.02 76.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.708 0.403 . . . . 6.0 110.924 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -64.63 -57.48 8.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.929 0.491 . . . . 6.0 111.069 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.44 -37.12 62.28 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.073 1.138 . . . . 6.0 114.073 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -55.98 -54.06 49.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.515 0.726 . . . . 6.0 111.05 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -71.47 -35.46 70.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.511 0.724 . . . . 6.0 111.707 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 10.1 t -61.04 -39.74 90.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 119.615 1.098 . . . . 6.0 111.705 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -59.42 -34.26 72.27 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.937 -1.102 . . . . 6.0 110.678 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.62 -38.75 47.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.436 1.494 . . . . 6.0 111.816 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -51.72 -43.34 62.8 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.52 2.328 . . . . 6.0 112.43 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.24 -52.32 66.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 6.0 111.515 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.58 -37.34 79.79 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.491 0.717 . . . . 6.0 112.281 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.97 98.39 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.402 1.081 . . . . 6.0 112.326 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.63 48.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.921 0.488 . . . . 6.0 111.497 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 65.43 -5.09 1.67 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 118.749 2.259 . . . . 6.0 118.749 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -135.42 12.47 3.5 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.771 1.785 . . . . 6.0 114.44 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 7.9 p -156.42 146.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.69 1.196 . . . . 6.0 112.008 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 5.92 7.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.435 1.894 . . . . 6.0 114.124 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -68.92 152.21 45.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.119 1.368 . . . . 6.0 113.306 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.7 t -154.16 -174.71 5.07 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.012 2.125 . . . . 6.0 110.422 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.0 m -137.6 -10.26 1.63 Allowed 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.175 1.546 . . . . 6.0 115.175 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.37 124.51 90.95 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-N 120.412 1.46 . . . . 6.0 111.464 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -44.09 -30.67 3.49 Favored 'Trans proline' 0 CA--C 1.54 0.821 1 C-N-CA 126.039 4.493 . . . . 6.0 118.337 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -131.36 22.74 4.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.955 1.302 . . . . 6.0 113.027 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . 0.421 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.13 -48.56 67.81 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.202 -0.936 . . . . 6.0 112.298 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -33.94 73.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.994 0.918 . . . . 6.0 112.896 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 71.0 m -63.4 -50.06 71.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.704 1.201 . . . . 6.0 108.76 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -44.85 83.84 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 6.0 111.67 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . 0.421 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 44.5 mttp -55.9 -43.63 77.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.694 1.134 . . . . 6.0 111.626 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -65.01 -43.47 92.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.43 0.692 . . . . 6.0 111.809 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.26 -41.77 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.812 0.845 . . . . 6.0 110.655 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.41 -49.47 69.11 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.053 1.341 . . . . 6.0 111.959 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -62.02 -38.89 90.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.209 0.458 . . . . 6.0 111.675 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -59.73 -49.49 77.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.301 -0.629 . . . . 6.0 109.301 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.4 mtp -53.32 -38.17 62.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.033 1.333 . . . . 6.0 111.465 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.36 0.73 1.95 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 177.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -130.14 -25.45 2.48 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.708 1.603 . . . . 6.0 112.723 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.18 155.23 28.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.075 1.75 . . . . 6.0 114.008 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -142.67 7.08 1.67 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.738 2.015 . . . . 6.0 113.121 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.66 2.1 23.83 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.02 -132.82 45.14 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.053 -1.029 . . . . 6.0 113.941 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -76.68 3.71 11.07 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.601 1.56 . . . . 6.0 113.888 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -120.54 15.85 12.02 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.954 1.464 . . . . 6.0 114.954 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.45 150.0 27.9 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.966 1.098 . . . . 6.0 113.966 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.51 -27.43 63.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.405 1.482 . . . . 6.0 111.77 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.17 112.15 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 108.032 -1.099 . . . . 6.0 108.032 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.29 -41.84 60.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.334 1.605 . . . . 6.0 115.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -80.15 -29.45 38.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.976 1.102 . . . . 6.0 113.976 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.27 -65.08 0.67 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.177 1.391 . . . . 6.0 112.497 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.8 70.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 66.6 m -70.06 -44.75 68.49 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.993 -0.442 . . . . 6.0 111.729 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.6 m -59.92 -47.56 85.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.563 1.145 . . . . 6.0 111.43 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -49.04 -38.34 23.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.584 1.954 . . . . 6.0 112.325 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -82.54 -43.78 16.7 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.461 1.104 . . . . 6.0 112.152 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.2 tt -55.66 -45.71 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.817 1.247 . . . . 6.0 113.701 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 16.9 mt -57.34 -47.99 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.47 1.508 . . . . 6.0 111.486 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.1 m -56.18 -27.18 53.46 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.517 1.303 . . . . 6.0 114.517 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.38 -61.85 1.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.146 0.885 . . . . 6.0 110.829 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -55.66 -37.48 68.33 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.229 1.412 . . . . 6.0 113.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -65.68 -9.95 32.0 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.884 1.274 . . . . 6.0 114.055 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -133.44 -27.52 1.55 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.202 1.927 . . . . 6.0 116.202 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.73 147.08 53.81 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 120.165 1.348 . . . . 6.0 113.703 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.1 p -138.29 -6.03 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.333 1.853 . . . . 6.0 113.928 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.41 117.31 5.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.319 1.448 . . . . 6.0 111.073 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -67.9 -7.95 32.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -126.84 15.58 7.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.843 1.257 . . . . 6.0 113.256 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.3 t -56.53 125.66 67.5 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 107.137 -1.431 . . . . 6.0 107.137 173.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.78 -43.21 32.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.188 1.925 . . . . 6.0 112.0 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.19 -53.51 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.324 1.05 . . . . 6.0 111.048 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.649 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.5 m -68.45 -28.36 66.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.102 1.519 . . . . 6.0 115.102 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.0 tp -42.42 -54.11 8.36 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 121.308 1.867 . . . . 6.0 114.933 -174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.93 -35.82 97.94 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 CA-C-N 122.387 1.888 . . . . 6.0 113.368 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.15 -36.3 72.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.475 1.489 . . . . 6.0 111.284 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.649 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.0 mttt -71.36 -24.05 62.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.162 1.785 . . . . 6.0 110.321 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.1 -34.39 26.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.435 1.494 . . . . 6.0 110.08 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -63.55 -179.38 0.35 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.126 1.77 . . . . 6.0 107.489 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 26.5 p 61.77 17.46 8.8 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.057 -1.652 . . . . 6.0 113.103 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.0 t70 58.77 14.25 3.11 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.638 2.375 . . . . 6.0 114.71 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -13.24 59.36 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.965 -1.084 . . . . 6.0 113.44 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 129.07 2.948 . . . . 6.0 114.22 175.472 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 121.295 0.386 . . . . 6.0 114.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 82.4 p -154.72 175.57 13.53 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.217 1.407 . . . . 6.0 112.262 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -73.41 -7.5 51.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.354 1.061 . . . . 6.0 113.85 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 94.1 mmm -64.58 139.36 58.76 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.484 1.114 . . . . 6.0 112.212 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.77 147.62 98.64 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 123.929 0.891 . . . . 6.0 112.7 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -70.87 133.34 23.34 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.645 2.23 . . . . 6.0 111.695 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -154.35 116.13 2.53 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 125.245 1.418 . . . . 6.0 109.32 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.62 161.15 10.32 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.69 2.26 . . . . 6.0 113.692 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -63.86 109.57 1.8 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.111 1.764 . . . . 6.0 113.721 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.54 123.53 62.71 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 126.138 1.775 . . . . 6.0 111.188 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.66 128.94 25.41 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.338 2.692 . . . . 6.0 113.343 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -54.13 -35.92 62.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.367 1.247 . . . . 6.0 114.367 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.8 -27.72 63.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.178 0.991 . . . . 6.0 112.658 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.17 -38.11 13.72 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -60.74 -24.45 65.73 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.31 1.414 . . . . 6.0 112.772 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.64 -23.07 65.31 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.465 1.906 . . . . 6.0 113.186 174.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 53.7 mt -66.25 131.52 46.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.143 0.977 . . . . 6.0 110.71 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -73.2 114.14 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.345 -0.983 . . . . 6.0 108.345 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -1.03 57.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.125 1.77 . . . . 6.0 115.262 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.56 -45.56 99.66 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 120.22 1.373 . . . . 6.0 112.946 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -61.58 -37.23 71.35 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.236 1.958 . . . . 6.0 111.825 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -18.45 61.17 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.84 -24.56 16.07 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.27 1.395 . . . . 6.0 114.378 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 15.9 pt -64.62 -28.51 44.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 119.241 0.928 . . . . 6.0 111.77 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.06 -9.92 54.26 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.902 2.081 . . . . 6.0 114.179 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -43.0 -26.58 0.15 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 118.0 2.592 . . . . 6.0 118.0 -171.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -148.97 41.39 0.92 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.049 1.295 . . . . 6.0 111.868 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.5 m -125.56 22.46 7.62 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.701 1.371 . . . . 6.0 114.701 -174.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.3 t -143.35 155.04 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.174 0.99 . . . . 6.0 111.973 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -122.78 81.43 1.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.311 1.844 . . . . 6.0 109.04 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.22 -40.51 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.481 1.912 . . . . 6.0 113.055 -173.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.31 -19.86 27.63 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.49 1.663 . . . . 6.0 115.49 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -97.69 -23.74 15.81 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.61 1.337 . . . . 6.0 114.61 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -42.92 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.72 1.208 . . . . 6.0 111.813 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 21.4 tpp -57.97 140.27 82.23 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.205 1.802 . . . . 6.0 113.053 -175.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -69.18 25.09 0.16 Allowed 'Trans proline' 0 CA--C 1.553 1.457 0 C-N-CA 124.833 3.689 . . . . 6.0 116.244 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 43.76 31.46 0.47 Allowed 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 127.999 2.52 . . . . 6.0 117.697 175.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -110.9 -66.11 0.53 Allowed Glycine 0 N--CA 1.477 1.401 0 CA-C-N 119.098 0.863 . . . . 6.0 115.053 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -154.91 151.64 23.67 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 125.934 1.694 . . . . 6.0 111.486 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -86.33 -49.7 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.69 2.26 . . . . 6.0 113.401 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.76 -18.0 52.3 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.251 1.42 . . . . 6.0 113.331 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.265 0.1 OUTLIER -55.16 -17.54 4.41 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 129.343 3.057 . . . . 6.0 111.754 173.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -46.14 -33.93 3.9 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.166 1.787 . . . . 6.0 113.868 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -54.75 -20.35 18.11 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.19 1.376 . . . . 6.0 114.876 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -136.84 17.35 3.05 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.404 1.882 . . . . 6.0 112.787 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -128.95 -10.67 4.84 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 116.72 2.119 . . . . 6.0 116.72 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 11.5 t -150.93 -175.47 5.15 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.532 -0.73 . . . . 6.0 112.846 -175.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 2.6 t -35.76 137.09 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 128.618 2.767 . . . . 6.0 113.363 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.22 177.85 7.49 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.578 2.066 . . . . 6.0 116.578 -170.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.12 -40.05 80.27 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.502 -1.374 . . . . 6.0 111.999 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.7 4.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.82 1.648 . . . . 6.0 112.364 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -115.06 -42.13 3.24 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.392 1.877 . . . . 6.0 113.274 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 33.0 m -70.24 -3.98 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.225 1.01 . . . . 6.0 113.61 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 8.1 t -151.19 179.86 7.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.563 2.345 . . . . 6.0 110.132 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.37 142.07 15.39 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 125.143 1.377 . . . . 6.0 113.021 176.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.45 165.25 32.37 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.068 2.512 . . . . 6.0 112.912 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 125.863 1.665 . . . . 6.0 111.592 179.486 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 114.55 1.315 . . . . 6.0 114.55 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 71.3 p -138.54 -27.89 0.84 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.804 1.642 . . . . 6.0 113.933 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 154.4 -81.26 0.18 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.856 1.217 . . . . 6.0 111.858 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.59 -21.35 65.67 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.283 2.655 . . . . 6.0 112.255 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.4 p -71.67 -11.61 60.92 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.866 2.067 . . . . 6.0 113.363 175.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -128.27 -34.89 2.04 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.916 1.286 . . . . 6.0 113.914 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.1 t0 19.43 88.39 0.06 OUTLIER Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 130.077 3.351 . . . . 6.0 115.662 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.97 -38.95 32.25 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.856 3.704 . . . . 6.0 115.57 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.28 -50.87 50.69 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.832 0.853 . . . . 6.0 111.197 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -62.03 -44.88 95.76 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.064 0.945 . . . . 6.0 111.085 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -50.89 -42.77 59.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.406 1.482 . . . . 6.0 111.371 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.51 -40.89 89.43 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.676 0.671 . . . . 6.0 112.413 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.89 -50.11 75.25 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.942 1.09 . . . . 6.0 113.942 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -41.99 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 120.043 1.292 . . . . 6.0 111.038 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.84 -47.41 74.17 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.58 1.082 . . . . 6.0 112.26 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.85 -47.05 82.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.651 1.18 . . . . 6.0 111.994 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.92 -43.43 95.94 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.741 1.155 . . . . 6.0 111.31 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.56 -55.79 27.86 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.683 0.793 . . . . 6.0 110.325 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.1 -39.62 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.951 0.722 . . . . 6.0 112.951 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.98 -40.95 90.88 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.811 0.732 . . . . 6.0 111.502 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.931 0.787 . . . . 6.0 110.377 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.74 -44.77 77.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.05 0.54 . . . . 6.0 111.339 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -62.59 -59.98 4.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.761 0.424 . . . . 6.0 110.337 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.29 -40.43 61.79 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.255 1.576 . . . . 6.0 115.255 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.91 -51.88 67.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.893 0.77 . . . . 6.0 111.754 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -69.92 -33.42 72.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.323 0.649 . . . . 6.0 111.443 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.62 -33.95 77.14 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.532 -0.73 . . . . 6.0 111.238 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -65.65 -33.52 76.09 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.973 -1.704 . . . . 6.0 109.603 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -67.7 -45.74 74.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.274 1.03 . . . . 6.0 109.992 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -54.68 -46.7 74.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.666 1.986 . . . . 6.0 111.949 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.96 -47.92 83.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.184 0.994 . . . . 6.0 111.747 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.69 -37.43 82.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.39 0.676 . . . . 6.0 112.517 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.69 92.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.068 0.947 . . . . 6.0 111.624 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -71.09 -46.17 62.3 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.939 0.896 . . . . 6.0 111.139 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 78.48 -9.4 35.31 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.577 1.561 . . . . 6.0 116.487 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -146.18 38.18 1.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.185 1.493 . . . . 6.0 111.344 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 144.31 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.545 1.538 . . . . 6.0 113.966 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -102.48 -48.55 4.12 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.043 1.337 . . . . 6.0 112.487 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -161.44 -173.12 3.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.673 1.189 . . . . 6.0 113.674 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.3 t -138.58 -167.85 2.28 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.128 2.571 . . . . 6.0 109.475 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 60.5 m -128.57 -6.76 5.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.787 1.635 . . . . 6.0 114.571 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.84 124.26 57.13 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.573 1.079 . . . . 6.0 112.382 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -46.15 -32.67 10.52 Favored 'Trans proline' 0 C--N 1.354 0.834 1 C-N-CA 125.696 4.264 . . . . 6.0 117.224 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -123.77 18.86 9.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.174 1.39 . . . . 6.0 113.89 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.82 -49.46 68.32 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.526 0.679 . . . . 6.0 110.497 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -31.64 72.88 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 24.2 m -66.16 -51.33 58.83 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.734 1.214 . . . . 6.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -46.54 85.74 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.833 1.253 . . . . 6.0 111.471 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -56.5 -41.63 76.98 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.68 1.127 . . . . 6.0 112.055 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -64.73 -43.8 92.24 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.268 0.627 . . . . 6.0 111.793 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.75 -38.74 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.108 0.963 . . . . 6.0 111.164 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.02 -50.08 51.98 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 125.261 1.425 . . . . 6.0 111.692 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -59.25 -35.97 74.66 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 122.234 0.214 . . . . 6.0 111.423 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.62 -51.91 63.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.774 -0.579 . . . . 6.0 109.527 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.0 mtp -53.82 -34.52 59.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.896 1.278 . . . . 6.0 113.143 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -13.84 46.33 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.09 1.144 . . . . 6.0 114.09 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -124.93 -23.42 4.28 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.179 1.391 . . . . 6.0 113.043 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.92 137.73 57.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.099 1.36 . . . . 6.0 111.226 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -128.5 0.6 5.6 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 6.0 112.888 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.47 59.68 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.188 0.995 . . . . 6.0 112.796 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 47.32 -116.2 2.51 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.294 1.426 . . . . 6.0 112.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.1 -26.77 28.98 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.342 1.457 . . . . 6.0 114.003 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -94.8 1.48 55.41 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.244 1.418 . . . . 6.0 114.466 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.6 t -62.69 165.89 6.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 122.184 0.993 . . . . 6.0 112.257 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -110.19 -9.73 14.67 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.247 1.819 . . . . 6.0 112.767 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 65.6 t -83.99 117.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 107.935 -1.135 . . . . 6.0 107.935 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.42 -38.93 66.84 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.469 2.026 . . . . 6.0 116.469 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -88.1 -26.59 22.43 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.119 1.155 . . . . 6.0 114.119 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.15 -63.23 1.22 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.527 1.931 . . . . 6.0 113.7 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.05 87.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.562 0.578 . . . . 6.0 112.562 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 70.3 m -65.8 -46.25 79.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.395 0.278 . . . . 6.0 111.568 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.3 m -57.34 -45.54 84.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.728 1.211 . . . . 6.0 111.564 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -36.27 26.28 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.901 1.68 . . . . 6.0 112.9 176.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -89.97 -41.12 11.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.943 1.297 . . . . 6.0 112.04 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.51 -40.56 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.02 0.928 . . . . 6.0 112.715 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 46.8 mt -60.3 -48.69 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.522 1.529 . . . . 6.0 110.223 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 m -59.19 -25.03 63.61 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.009 1.485 . . . . 6.0 115.009 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -69.18 -54.39 15.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.986 1.266 . . . . 6.0 111.32 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -59.52 -30.58 68.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.009 0.924 . . . . 6.0 112.61 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.49 -15.76 63.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.035 1.334 . . . . 6.0 114.558 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.16 -24.79 2.06 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.899 2.185 . . . . 6.0 116.899 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.26 103.27 1.91 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 120.221 1.373 . . . . 6.0 113.338 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 38.1 p -87.52 -8.16 56.72 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.056 1.342 . . . . 6.0 113.147 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -62.1 123.69 18.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.622 1.569 . . . . 6.0 112.99 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.76 -3.57 38.89 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.432 0.53 . . . . 6.0 112.432 173.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -125.79 10.23 7.69 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.318 1.599 . . . . 6.0 115.318 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.01 132.92 83.72 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.062 0.945 . . . . 6.0 108.97 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.22 -43.31 24.24 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.491 2.127 . . . . 6.0 111.661 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.92 -52.46 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.935 1.294 . . . . 6.0 111.157 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.654 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 89.9 m -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.216 1.562 . . . . 6.0 115.216 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -59.12 2.14 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 121.047 1.749 . . . . 6.0 114.228 -175.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.67 -40.03 87.69 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.222 1.948 . . . . 6.0 113.002 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.04 -41.6 81.85 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.492 1.496 . . . . 6.0 112.058 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.654 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.8 mttt -65.44 -25.95 67.74 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 6.0 110.634 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -81.18 -43.15 19.74 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.461 1.504 . . . . 6.0 109.976 173.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . 0.419 ' CB ' ' HA ' ' B' ' 813' ' ' GLU . . . -59.16 -14.04 9.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.913 2.485 . . . . 6.0 114.249 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 87.8 p -137.51 20.39 2.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.301 1.84 . . . . 6.0 113.367 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.34 131.51 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.7 2.8 . . . . 6.0 115.415 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.03 -25.26 63.55 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.683 1.593 . . . . 6.0 114.73 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 128.54 2.736 . . . . 6.0 114.189 -178.669 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 114.505 0.562 . . . . 6.0 114.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 23.3 m -65.86 -18.74 65.54 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.121 1.368 . . . . 6.0 114.301 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -148.6 -39.26 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.036 1.734 . . . . 6.0 111.64 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 46.0 tpp -149.54 148.85 29.87 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.888 1.675 . . . . 6.0 109.911 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 29.9 m -67.49 152.89 95.79 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 124.502 1.121 . . . . 6.0 112.426 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.51 145.98 83.79 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.392 2.062 . . . . 6.0 110.347 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -147.67 114.51 4.07 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.376 0.67 . . . . 6.0 112.359 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.75 157.07 24.94 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.927 2.418 . . . . 6.0 112.417 175.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.05 111.35 2.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.315 1.046 . . . . 6.0 112.969 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.82 124.01 34.1 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.138 2.175 . . . . 6.0 109.767 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -49.66 124.96 13.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.453 2.768 . . . . 6.0 113.291 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -50.05 -38.09 36.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.083 1.353 . . . . 6.0 114.281 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.22 -26.34 65.66 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.542 1.137 . . . . 6.0 113.04 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.05 -25.92 20.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.656 1.183 . . . . 6.0 112.347 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -56.95 -35.34 69.0 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 119.927 1.24 . . . . 6.0 112.213 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.49 -16.32 62.9 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 27.9 mt -67.34 138.66 56.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.719 1.145 . . . . 6.0 112.354 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 101.87 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.502 0.721 . . . . 6.0 110.223 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 3.0 p -88.27 -9.66 52.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.959 1.304 . . . . 6.0 114.082 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.8 -46.28 99.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 119.934 1.243 . . . . 6.0 113.913 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -23.2 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 CA-C-N 121.557 1.592 . . . . 6.0 111.167 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.8 mtt -66.28 -17.36 64.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.076 0.95 . . . . 6.0 112.934 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -52.09 -24.73 7.31 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.382 1.253 . . . . 6.0 114.382 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -64.49 -28.92 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.11 0.868 . . . . 6.0 112.318 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -82.89 -12.94 56.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.719 1.607 . . . . 6.0 114.092 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 39.0 tpt85 -48.76 -26.16 2.21 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.808 2.151 . . . . 6.0 116.808 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -138.42 33.6 2.29 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.8 1.24 . . . . 6.0 111.707 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 21.57 4.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.217 1.562 . . . . 6.0 115.217 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -145.76 153.1 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.127 0.971 . . . . 6.0 112.467 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -119.77 86.29 2.53 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.147 2.179 . . . . 6.0 107.82 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.97 -37.14 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.275 1.43 . . . . 6.0 112.949 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 435' ' ' ALA . 43.0 mt-10 -95.3 -19.9 19.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.481 2.03 . . . . 6.0 116.481 -176.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.62 -21.15 19.57 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.419 1.463 . . . . 6.0 114.736 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -41.89 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.638 1.575 . . . . 6.0 112.43 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 54.4 mmm -66.68 156.91 85.26 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 129.214 3.006 . . . . 6.0 115.921 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.36 -7.97 21.85 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.195 3.263 . . . . 6.0 116.218 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 65.1 t30 48.43 57.28 6.4 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.515 1.526 . . . . 6.0 115.047 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -142.94 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.536 1.396 0 C-N-CA 123.913 0.768 . . . . 6.0 114.746 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -154.52 143.0 14.51 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 118.528 1.164 . . . . 6.0 112.63 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.46 -39.87 0.1 Allowed 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.784 2.323 . . . . 6.0 112.448 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.31 -21.1 64.99 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.839 1.256 . . . . 6.0 112.82 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -16.29 10.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 128.571 2.748 . . . . 6.0 111.368 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -46.26 -38.24 8.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 6.0 113.236 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.31 -15.13 10.08 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.238 1.399 . . . . 6.0 115.875 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -130.61 8.2 4.92 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.993 2.117 . . . . 6.0 112.654 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -130.61 -3.13 4.23 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.489 1.292 . . . . 6.0 114.489 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 34.5 p -101.47 170.5 8.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.923 1.289 . . . . 6.0 113.785 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.81 108.66 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 127.442 2.297 . . . . 6.0 108.922 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -57.43 161.91 3.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 119.01 2.967 . . . . 6.0 119.01 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.0 -44.81 67.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.971 1.708 . . . . 6.0 113.823 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.11 -25.48 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.275 0.63 . . . . 6.0 111.626 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -38.66 72.36 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 6.0 112.205 178.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.6 18.98 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.541 1.537 . . . . 6.0 112.588 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 87.9 p 27.1 -75.18 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 131.044 3.738 . . . . 6.0 118.037 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.58 125.76 18.71 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 127.33 2.252 . . . . 6.0 109.982 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.05 -10.86 19.64 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.253 2.636 . . . . 6.0 113.519 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 127.007 2.123 . . . . 6.0 113.906 -178.701 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 113.552 0.945 . . . . 6.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 46.0 p -68.81 -19.71 64.29 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.122 1.369 . . . . 6.0 114.038 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 175.06 -174.74 46.92 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.865 1.698 . . . . 6.0 112.221 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.89 -26.06 78.71 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.203 2.602 . . . . 6.0 112.821 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 25.2 p -68.65 -5.52 20.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.968 1.707 . . . . 6.0 113.564 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.32 24.73 1.93 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.193 1.797 . . . . 6.0 112.064 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.1 110.56 2.27 Favored Pre-proline 0 CA--C 1.554 1.122 0 O-C-N 121.257 -0.902 . . . . 6.0 111.581 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.61 -42.26 63.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.0 3.133 . . . . 6.0 114.874 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.76 -45.94 73.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.755 0.822 . . . . 6.0 111.576 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -61.08 -47.35 86.71 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.666 -0.646 . . . . 6.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.42 -42.83 64.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.079 1.352 . . . . 6.0 110.961 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -62.29 -44.97 95.29 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.878 0.871 . . . . 6.0 111.483 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.01 -50.43 73.43 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.878 1.436 . . . . 6.0 114.878 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 120.413 1.461 . . . . 6.0 111.13 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.04 -44.88 79.23 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.435 1.016 . . . . 6.0 111.666 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -65.36 -48.26 73.57 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.624 1.17 . . . . 6.0 112.479 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.181 1.355 . . . . 6.0 110.759 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.34 -56.54 19.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.498 0.719 . . . . 6.0 110.348 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.12 -39.2 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 113.276 0.843 . . . . 6.0 113.276 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.48 -40.15 90.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.98 0.809 . . . . 6.0 111.521 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.33 -44.85 86.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.89 0.768 . . . . 6.0 110.371 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 61.5 mt -57.75 -37.88 74.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.744 0.818 . . . . 6.0 111.957 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -68.04 -57.44 6.13 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.924 0.489 . . . . 6.0 109.738 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.82 -37.95 64.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.355 1.613 . . . . 6.0 115.355 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -58.23 -59.5 5.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.467 1.031 . . . . 6.0 111.064 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.95 -31.83 71.85 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.766 -0.584 . . . . 6.0 111.805 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.8 -36.46 83.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 119.237 0.926 . . . . 6.0 110.955 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.68 -15.59 63.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.167 -1.583 . . . . 6.0 112.226 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.11 -38.65 13.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.049 1.74 . . . . 6.0 110.279 172.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -53.39 -46.03 69.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.529 1.932 . . . . 6.0 110.881 173.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -58.1 -47.98 81.58 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.216 1.006 . . . . 6.0 112.048 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -68.42 -41.23 80.69 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.0 0.92 . . . . 6.0 112.519 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.68 90.12 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.634 1.174 . . . . 6.0 112.613 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -72.18 -24.85 61.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.455 0.702 . . . . 6.0 112.852 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 67.34 11.66 59.67 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.1 1.333 . . . . 6.0 114.783 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -156.91 141.71 16.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.3 2.24 . . . . 6.0 108.526 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 18.5 t -144.39 139.85 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.617 0.767 . . . . 6.0 111.591 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.27 -38.38 0.55 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.488 1.515 . . . . 6.0 112.624 174.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -159.49 -178.39 7.09 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.48 1.289 . . . . 6.0 114.48 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.3 t -142.39 -163.76 1.67 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 128.933 2.893 . . . . 6.0 108.716 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 98.6 p -132.21 -2.35 3.55 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.569 1.547 . . . . 6.0 114.496 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.32 123.56 46.12 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.154 0.982 . . . . 6.0 112.535 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -44.3 -31.88 4.72 Favored 'Trans proline' 0 C--N 1.356 0.923 1 C-N-CA 126.077 4.518 . . . . 6.0 118.046 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -130.36 23.02 5.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.726 1.21 . . . . 6.0 113.846 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.99 -48.09 70.74 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.426 -0.796 . . . . 6.0 111.248 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -34.33 74.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.33 1.052 . . . . 6.0 112.755 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 50.9 m -64.42 -50.16 68.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.395 1.078 . . . . 6.0 109.036 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -63.47 -44.97 92.88 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.513 1.125 . . . . 6.0 112.402 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -57.97 -44.28 86.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.537 1.135 . . . . 6.0 111.372 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.75 -39.97 88.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.249 0.62 . . . . 6.0 111.987 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.63 -45.12 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.256 1.022 . . . . 6.0 110.709 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.07 -45.8 87.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.957 1.303 . . . . 6.0 111.616 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.19 -43.79 92.2 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.862 -0.524 . . . . 6.0 110.834 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -60.01 -53.29 59.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.647 0.779 . . . . 6.0 110.51 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.1 mtp -51.8 -36.21 46.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.13 1.772 . . . . 6.0 113.213 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 29.2 m -66.76 -16.82 64.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.578 1.151 . . . . 6.0 113.288 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -122.08 -16.76 7.42 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.975 1.31 . . . . 6.0 113.829 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 39.5 t -62.97 143.06 58.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.783 1.633 . . . . 6.0 112.113 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -139.32 12.53 2.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.509 1.524 . . . . 6.0 112.584 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.71 -4.43 43.26 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.734 1.383 . . . . 6.0 114.734 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.35 -135.6 49.86 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.111 -0.993 . . . . 6.0 113.04 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -72.85 -11.28 60.53 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.521 1.128 . . . . 6.0 113.871 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -96.22 7.68 45.81 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.404 1.482 . . . . 6.0 114.067 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 42.7 t -54.15 139.2 36.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.193 1.397 . . . . 6.0 113.831 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.43 -20.95 58.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 6.0 112.717 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 93.0 t -87.68 104.07 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.069 0.938 . . . . 6.0 108.848 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.31 41.48 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.849 1.426 . . . . 6.0 114.849 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -83.93 -19.18 35.14 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.215 1.191 . . . . 6.0 114.215 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 28.4 t -67.11 -65.79 0.64 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.344 1.429 . . . . 6.0 112.126 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.18 -34.15 70.02 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.375 0.88 . . . . 6.0 113.375 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 17.9 p -68.85 -52.48 29.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.313 0.506 . . . . 6.0 111.014 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.6 m -53.49 -45.87 69.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.468 1.107 . . . . 6.0 112.564 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -52.86 -36.25 58.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.805 1.242 . . . . 6.0 112.837 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -85.06 -42.6 14.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.131 0.972 . . . . 6.0 112.253 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.01 -41.42 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.75 1.22 . . . . 6.0 113.653 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.91 -47.64 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.622 1.569 . . . . 6.0 110.335 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.4 m -58.07 -23.42 54.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.5 1.667 . . . . 6.0 115.5 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -69.3 -54.88 12.35 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.457 1.48 . . . . 6.0 111.209 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -61.72 -28.82 69.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.695 0.798 . . . . 6.0 112.729 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.31 -11.51 60.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.332 1.234 . . . . 6.0 114.332 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -130.06 -32.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.701 1.741 . . . . 6.0 115.701 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.9 t -69.56 148.44 49.42 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.638 1.108 . . . . 6.0 113.063 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -140.22 -14.26 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.73 1.612 . . . . 6.0 114.455 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -61.59 119.62 9.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.664 1.186 . . . . 6.0 112.241 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -61.68 -9.92 7.38 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.154 2.279 . . . . 6.0 117.154 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -126.94 16.25 7.36 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.761 1.164 . . . . 6.0 113.667 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.2 t -52.52 125.97 37.67 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 125.573 1.549 . . . . 6.0 110.504 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -52.69 -22.43 17.29 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.681 3.587 . . . . 6.0 116.48 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 30.2 t -114.65 -39.17 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.611 1.164 . . . . 6.0 111.102 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.682 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 95.6 m -72.66 -26.87 61.79 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.256 -1.528 . . . . 6.0 113.622 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -39.88 -58.25 2.26 Favored Pre-proline 0 N--CA 1.474 0.774 0 CA-C-N 120.541 1.518 . . . . 6.0 114.342 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.64 -32.98 97.9 Favored 'Trans proline' 0 C--N 1.35 0.638 0 CA-C-N 121.717 1.649 . . . . 6.0 113.173 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.7 -45.44 52.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.485 1.493 . . . . 6.0 110.842 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.682 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.0 mttt -59.91 -27.27 66.6 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.364 1.465 . . . . 6.0 110.695 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -84.01 -43.38 15.21 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.583 1.953 . . . . 6.0 110.751 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -55.77 -28.99 58.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.542 1.937 . . . . 6.0 112.409 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.1 p -111.28 9.48 21.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.945 2.098 . . . . 6.0 114.489 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -63.86 164.45 10.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.795 0.838 . . . . 6.0 111.393 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -72.58 44.95 0.13 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.891 2.077 . . . . 6.0 113.333 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 127.714 2.406 . . . . 6.0 112.797 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 114.7 0.64 . . . . 6.0 114.7 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 94.7 p -139.18 -7.24 1.37 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.746 1.618 . . . . 6.0 114.757 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -156.51 168.91 25.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.807 1.643 . . . . 6.0 111.789 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 13.0 tpt -150.84 152.26 33.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.552 1.541 . . . . 6.0 110.721 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 30.5 m -63.59 147.64 95.26 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 124.05 0.94 . . . . 6.0 112.462 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.19 166.95 27.92 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.958 2.439 . . . . 6.0 112.864 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.22 129.08 91.92 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.823 1.649 . . . . 6.0 111.373 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.44 155.94 23.68 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.637 2.891 . . . . 6.0 111.093 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.67 103.46 2.13 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.793 -1.192 . . . . 6.0 113.822 -178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 tt -33.95 130.55 0.41 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 130.029 3.331 . . . . 6.0 111.925 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -54.27 126.99 24.0 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.538 2.159 . . . . 6.0 113.297 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -47.01 -41.85 17.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.349 1.86 . . . . 6.0 115.016 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.67 -27.76 67.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.075 0.95 . . . . 6.0 113.205 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 35.0 mt -90.02 -22.88 21.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.658 1.183 . . . . 6.0 113.132 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -55.39 -38.5 68.95 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 120.376 1.444 . . . . 6.0 111.985 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.17 -12.41 61.47 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.114 1.765 . . . . 6.0 114.672 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.39 133.91 46.28 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.422 1.01 . . . . 6.0 111.294 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -73.25 107.49 5.6 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.8 p -88.92 -10.39 47.99 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.17 1.388 . . . . 6.0 114.397 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.93 -44.88 99.72 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 120.37 1.441 . . . . 6.0 113.467 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -62.01 -35.06 78.79 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.487 2.125 . . . . 6.0 112.072 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.4 mtt -63.87 -17.25 62.98 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.548 1.139 . . . . 6.0 113.521 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.46 -22.62 8.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.048 1.129 . . . . 6.0 114.048 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.18 -29.82 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.193 0.906 . . . . 6.0 112.028 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -85.46 -11.72 53.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.192 1.797 . . . . 6.0 114.42 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -49.81 -25.98 3.55 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 117.398 2.37 . . . . 6.0 117.398 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -136.42 32.35 2.82 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.428 1.491 . . . . 6.0 111.399 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.4 m -129.91 18.73 5.58 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.242 1.571 . . . . 6.0 115.242 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -144.82 146.05 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.023 0.929 . . . . 6.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -115.95 86.83 2.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.977 1.711 . . . . 6.0 107.13 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.23 -38.84 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.854 1.662 . . . . 6.0 112.819 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.03 -19.97 29.52 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.259 1.948 . . . . 6.0 116.259 -178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -95.69 -21.59 18.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.673 1.36 . . . . 6.0 114.673 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -38.7 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.696 1.198 . . . . 6.0 110.856 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 10.3 tpp -69.94 142.21 90.39 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.147 1.779 . . . . 6.0 112.803 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.71 2.02 5.1 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 123.487 2.791 . . . . 6.0 115.075 178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.78 31.0 2.86 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 128.584 2.754 . . . . 6.0 118.134 178.199 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -99.53 -46.18 2.01 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.835 0.731 . . . . 6.0 113.925 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -158.53 156.11 26.64 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.251 1.82 . . . . 6.0 111.492 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -86.4 -27.07 0.9 Allowed 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 123.118 2.546 . . . . 6.0 111.432 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 -18.1 47.83 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.41 1.884 . . . . 6.0 111.946 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.283 3.5 tm? -44.5 -26.35 0.35 Allowed 'General case' 0 CA--C 1.537 0.465 1 C-N-CA 132.606 4.362 . . . . 6.0 112.574 171.062 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -49.15 -36.14 18.51 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.148 1.379 . . . . 6.0 112.086 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -61.36 -9.35 16.38 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.465 1.507 . . . . 6.0 115.338 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -134.45 15.45 3.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.825 2.45 . . . . 6.0 112.133 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -135.56 -29.19 1.07 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.367 0.877 . . . . 6.0 113.367 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 71.5 p -82.11 -176.49 6.18 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.263 1.025 . . . . 6.0 111.625 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 12.5 m -135.23 149.47 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 124.488 1.115 . . . . 6.0 112.668 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -146.32 -104.39 0.1 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.858 1.263 . . . . 6.0 109.826 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.83 -20.73 16.4 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.375 -1.453 . . . . 6.0 114.297 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.46 -6.53 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.667 1.587 . . . . 6.0 114.324 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.07 -24.56 1.1 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.648 1.722 . . . . 6.0 115.648 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.18 152.45 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.879 1.218 . . . . 6.0 111.922 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 61.2 p -60.66 -30.15 69.72 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 115.666 1.728 . . . . 6.0 115.666 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -138.53 80.2 27.39 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.022 1.729 . . . . 6.0 111.049 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.88 -26.77 50.16 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 124.559 3.506 . . . . 6.0 115.707 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 125.63 1.572 . . . . 6.0 112.672 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 11.1 t -154.17 169.13 24.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.903 1.681 . . . . 6.0 111.587 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 177.19 178.48 46.92 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.904 1.24 . . . . 6.0 113.61 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.11 -8.41 23.52 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.107 3.205 . . . . 6.0 114.208 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.9 p -67.39 -16.56 64.31 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.972 1.709 . . . . 6.0 113.843 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -121.93 130.13 53.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.833 2.053 . . . . 6.0 111.273 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -149.77 97.38 3.47 Favored Pre-proline 0 N--CA 1.475 0.777 0 C-N-CA 124.923 1.289 . . . . 6.0 109.428 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.21 -43.08 38.39 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 124.678 3.585 . . . . 6.0 116.224 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.94 -48.65 43.81 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.858 -0.526 . . . . 6.0 112.223 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.668 -0.645 . . . . 6.0 110.008 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -46.42 54.98 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.722 1.609 . . . . 6.0 111.615 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -72.0 -33.35 68.03 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.18 1.355 . . . . 6.0 113.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.44 -49.1 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.895 1.68 . . . . 6.0 113.016 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.98 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 119.901 1.228 . . . . 6.0 111.166 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -54.06 -48.69 70.34 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.31 1.414 . . . . 6.0 112.003 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.41 -46.92 78.1 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.609 1.564 . . . . 6.0 112.043 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.11 -43.92 97.1 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.713 1.142 . . . . 6.0 110.948 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.22 -56.17 22.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.422 0.689 . . . . 6.0 110.077 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.83 -38.51 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 113.491 0.923 . . . . 6.0 113.491 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.98 -38.5 82.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.055 0.843 . . . . 6.0 111.514 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.11 -43.97 90.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 6.0 110.371 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.39 -46.93 76.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.276 0.631 . . . . 6.0 111.106 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.05 -61.42 2.58 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.161 0.584 . . . . 6.0 110.286 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.81 61.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.354 1.462 . . . . 6.0 114.468 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -60.31 -54.12 49.48 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.415 1.007 . . . . 6.0 111.718 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -64.34 -37.5 87.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.499 -0.75 . . . . 6.0 111.574 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.14 -37.87 86.83 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.675 0.79 . . . . 6.0 110.93 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -62.88 -40.92 99.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.395 1.078 . . . . 6.0 109.668 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -58.67 -40.97 85.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.69 0.796 . . . . 6.0 111.286 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -56.4 -45.98 80.39 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.066 0.848 . . . . 6.0 111.539 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.83 -48.84 51.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.041 0.937 . . . . 6.0 111.614 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -59.89 -30.62 69.13 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.778 1.029 . . . . 6.0 113.778 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -67.75 -13.1 61.83 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.812 1.412 . . . . 6.0 114.812 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -144.26 -18.57 0.56 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.682 1.734 . . . . 6.0 115.682 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.94 22.69 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.266 1.889 . . . . 6.0 112.443 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -156.31 149.39 24.22 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.99 2.516 . . . . 6.0 108.209 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 1.7 p -149.03 175.6 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.245 -0.91 . . . . 6.0 111.969 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -61.04 -6.6 1.99 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.286 1.834 . . . . 6.0 115.915 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . 54.94 -159.4 0.18 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.716 2.006 . . . . 6.0 114.145 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.9 p -157.84 -168.97 2.68 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.809 2.444 . . . . 6.0 110.529 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 80.2 p -132.47 9.21 4.32 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.451 1.5 . . . . 6.0 114.426 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 115.45 13.47 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 125.209 1.404 . . . . 6.0 110.5 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_exo -35.36 -35.11 0.12 Allowed 'Trans proline' 0 CA--C 1.541 0.825 1 C-N-CA 126.625 4.884 . . . . 6.0 121.52 -176.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.73 19.97 6.62 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.01 1.485 . . . . 6.0 115.01 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 13.0 t -52.36 -51.8 56.89 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.172 0.989 . . . . 6.0 111.335 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.55 -35.34 77.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.699 1.2 . . . . 6.0 113.057 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.9 m -63.51 -49.41 73.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.226 1.01 . . . . 6.0 109.455 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.1 mmt -66.33 -46.06 78.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.623 1.169 . . . . 6.0 112.25 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -54.53 -44.97 73.26 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.091 1.314 . . . . 6.0 111.51 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.77 -44.24 97.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.719 0.808 . . . . 6.0 112.198 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -36.87 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.178 0.991 . . . . 6.0 111.736 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.38 -49.3 56.64 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 124.794 1.237 . . . . 6.0 111.434 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.08 -32.83 72.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 111.819 0.303 . . . . 6.0 111.819 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -65.88 -50.95 62.67 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.482 -0.761 . . . . 6.0 109.375 173.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 67.1 mtp -52.85 -33.57 50.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.871 1.269 . . . . 6.0 112.801 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -11.72 46.07 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.686 1.365 . . . . 6.0 114.686 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -127.04 -13.82 5.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.852 1.261 . . . . 6.0 113.497 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.46 147.96 51.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.691 1.196 . . . . 6.0 112.658 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -138.95 18.1 2.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.646 1.978 . . . . 6.0 112.03 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -87.93 -3.41 58.92 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.705 -1.247 . . . . 6.0 113.783 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.18 -93.08 0.01 OUTLIER Glycine 0 CA--C 1.535 1.324 0 C-N-CA 126.919 2.2 . . . . 6.0 115.404 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -114.44 6.07 15.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.065 1.746 . . . . 6.0 113.918 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -119.4 14.42 12.86 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.946 1.698 . . . . 6.0 112.808 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.5 t -59.18 146.31 39.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.804 1.242 . . . . 6.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -83.87 -15.53 47.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.975 1.31 . . . . 6.0 112.338 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 74.2 t -86.41 106.72 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.001 -1.481 . . . . 6.0 107.001 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.38 -34.69 11.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.227 1.936 . . . . 6.0 116.227 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.01 -24.25 21.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.656 1.354 . . . . 6.0 114.656 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 23.2 t -58.48 -67.37 0.36 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.321 1.449 . . . . 6.0 113.328 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.41 67.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.724 0.639 . . . . 6.0 112.724 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 63.0 m -67.13 -48.08 69.17 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.178 -0.327 . . . . 6.0 111.682 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -59.66 -47.07 87.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.601 1.16 . . . . 6.0 111.904 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -50.14 -37.88 36.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.295 1.838 . . . . 6.0 112.413 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -83.36 -43.26 16.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.415 1.086 . . . . 6.0 112.377 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.75 -39.11 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 120.962 -1.086 . . . . 6.0 113.515 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.355 1.462 . . . . 6.0 110.768 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.4 m -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.524 1.305 . . . . 6.0 114.524 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -68.1 -59.86 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.261 0.937 . . . . 6.0 110.898 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -57.72 -33.95 68.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.75 1.22 . . . . 6.0 113.31 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -63.0 -13.48 35.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.776 1.231 . . . . 6.0 114.052 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -133.92 -30.85 1.19 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.377 1.992 . . . . 6.0 116.377 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.42 136.98 57.98 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.855 1.207 . . . . 6.0 114.02 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 14.4 t -138.49 10.21 2.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.908 1.683 . . . . 6.0 113.18 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -67.29 118.89 11.28 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.262 1.425 . . . . 6.0 110.16 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -63.88 -8.94 12.54 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.006 1.854 . . . . 6.0 116.006 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -129.75 19.75 5.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.309 1.444 . . . . 6.0 113.067 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 52.7 t -54.24 124.31 46.0 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.411 -0.959 . . . . 6.0 108.411 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.78 -28.07 59.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.007 1.805 . . . . 6.0 112.327 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.97 -46.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 117.897 -1.049 . . . . 6.0 110.711 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.679 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 85.4 m -74.08 -29.6 61.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 121.072 1.76 . . . . 6.0 114.922 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.1 tp -40.87 -53.37 6.11 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-N 122.179 2.263 . . . . 6.0 115.318 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -59.44 -35.51 96.02 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-N 121.813 1.683 . . . . 6.0 112.879 176.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.39 -42.01 62.66 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.082 1.31 . . . . 6.0 111.861 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.679 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 13.9 mttm -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.219 -1.03 . . . . 6.0 108.219 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -65.82 -45.39 82.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.882 1.273 . . . . 6.0 111.666 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -53.9 -19.14 4.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.537 1.935 . . . . 6.0 113.127 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.2 OUTLIER -131.62 32.67 4.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.949 1.299 . . . . 6.0 113.865 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.29 -25.72 0.78 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.681 1.592 . . . . 6.0 112.32 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.16 -25.1 63.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.857 1.263 . . . . 6.0 113.93 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 126.841 2.056 . . . . 6.0 111.427 177.546 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 N-CA-C 114.796 0.678 . . . . 6.0 114.796 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 69.7 p -69.15 -15.96 63.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.358 1.463 . . . . 6.0 114.485 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -150.67 160.79 43.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.849 1.659 . . . . 6.0 111.079 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 96.9 mmm -76.43 52.93 0.81 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.292 1.837 . . . . 6.0 112.426 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.5 146.56 63.8 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 125.246 1.418 . . . . 6.0 113.24 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -76.05 177.34 8.87 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.492 2.794 . . . . 6.0 112.49 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.3 72.63 72.18 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.38 1.872 . . . . 6.0 112.876 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -51.98 159.21 4.05 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 123.545 2.83 . . . . 6.0 112.232 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.38 107.43 0.57 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.445 1.498 . . . . 6.0 113.615 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.69 122.77 35.0 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.468 1.907 . . . . 6.0 110.813 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -51.52 124.06 13.5 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.475 2.783 . . . . 6.0 113.041 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -50.85 -37.39 42.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.588 1.329 . . . . 6.0 114.588 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.37 -26.84 66.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.781 0.833 . . . . 6.0 112.679 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.07 -28.04 19.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.809 1.243 . . . . 6.0 112.703 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -55.15 -38.28 68.05 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.855 1.207 . . . . 6.0 112.147 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.83 -11.38 60.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.061 1.344 . . . . 6.0 114.402 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 29.0 mt -69.52 139.97 53.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.786 1.176 . . . . 6.0 112.096 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -74.23 101.22 3.93 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.769 0.827 . . . . 6.0 109.973 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.1 p -86.95 -9.56 55.34 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.92 1.288 . . . . 6.0 113.891 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.24 -45.76 99.21 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.986 1.266 . . . . 6.0 114.219 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.22 -23.82 20.63 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 CA-C-N 121.835 1.691 . . . . 6.0 110.941 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 28.6 mtt -66.25 -16.87 64.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.225 1.01 . . . . 6.0 112.957 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.93 -22.05 3.55 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -70.01 -27.64 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.047 0.84 . . . . 6.0 112.517 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.33 -12.6 54.3 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.898 1.679 . . . . 6.0 113.987 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -47.22 -22.1 0.35 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 117.85 2.537 . . . . 6.0 117.85 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.41 32.84 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.044 1.737 . . . . 6.0 111.832 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.4 m -129.06 20.32 5.88 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.0 t -143.62 152.91 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.949 0.9 . . . . 6.0 112.642 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -119.55 84.01 2.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.031 2.132 . . . . 6.0 108.372 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.55 -40.83 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.896 1.678 . . . . 6.0 112.962 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -88.01 -19.91 26.54 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.536 1.68 . . . . 6.0 115.536 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -96.57 -25.09 15.74 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.746 1.387 . . . . 6.0 114.746 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -44.13 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.944 1.297 . . . . 6.0 111.518 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 26.4 tpp -59.44 143.26 86.04 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.798 2.039 . . . . 6.0 114.297 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -66.26 -8.97 22.05 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.393 2.729 . . . . 6.0 114.04 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 30.7 t-20 52.06 85.02 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.031 2.932 . . . . 6.0 116.818 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -161.66 -43.45 0.02 OUTLIER Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.013 0.765 . . . . 6.0 115.013 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -156.65 139.33 10.62 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.661 1.585 . . . . 6.0 111.044 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -83.58 -39.75 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 122.404 2.069 . . . . 6.0 112.891 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.28 -19.09 64.27 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.922 1.289 . . . . 6.0 113.218 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.268 0.0 OUTLIER -57.26 -15.41 5.98 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.757 2.823 . . . . 6.0 111.462 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -48.19 -28.45 3.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.073 1.749 . . . . 6.0 113.998 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -43.5 -39.42 4.44 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.859 1.695 . . . . 6.0 115.095 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -131.07 -10.75 3.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.76 1.224 . . . . 6.0 114.157 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -71.23 -15.53 62.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.173 1.175 . . . . 6.0 114.173 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.5 t -148.7 172.33 14.76 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.366 1.067 . . . . 6.0 112.943 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 2.4 t -20.78 104.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 130.825 3.65 . . . . 6.0 113.391 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -85.72 171.47 11.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 117.765 2.506 . . . . 6.0 117.765 -170.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -53.02 -41.36 64.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.626 1.971 . . . . 6.0 111.976 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 31.5 m -77.33 -0.86 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.108 1.763 . . . . 6.0 113.095 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.08 -41.63 5.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.041 2.137 . . . . 6.0 112.409 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 4.8 m -79.86 57.13 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.967 1.307 . . . . 6.0 110.17 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 28.8 m -54.89 144.35 23.12 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.13 1.372 . . . . 6.0 112.672 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.22 172.06 5.79 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.395 1.878 . . . . 6.0 110.569 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.49 161.57 45.03 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.155 1.904 . . . . 6.0 112.978 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 125.013 1.325 . . . . 6.0 112.348 179.534 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 113.626 0.972 . . . . 6.0 113.626 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.2 t -145.82 -25.13 0.46 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.462 1.505 . . . . 6.0 113.658 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -164.61 54.37 0.27 Allowed Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.82 1.2 . . . . 6.0 113.773 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -65.02 -14.57 45.99 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.571 2.847 . . . . 6.0 114.466 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.8 p -73.64 -18.44 61.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.144 1.378 . . . . 6.0 113.584 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -75.03 146.43 41.58 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.05 1.34 . . . . 6.0 113.371 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -156.75 104.49 1.96 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.287 1.435 . . . . 6.0 109.078 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.79 -38.89 85.55 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.904 3.069 . . . . 6.0 115.302 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.21 -45.39 60.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.287 -0.883 . . . . 6.0 111.591 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -62.91 -45.75 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.743 -0.598 . . . . 6.0 109.932 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -50.29 -49.35 53.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.57 1.548 . . . . 6.0 110.859 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -57.54 -31.68 66.34 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.306 1.043 . . . . 6.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.57 -51.2 15.24 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.969 -1.015 . . . . 6.0 112.51 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.46 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.647 1.112 . . . . 6.0 110.539 174.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -55.8 -49.99 71.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.83 1.196 . . . . 6.0 112.095 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.3 -40.9 70.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 117.809 -1.091 . . . . 6.0 113.163 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -62.51 -43.28 99.19 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.532 1.514 . . . . 6.0 110.33 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.47 -57.63 11.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.759 0.824 . . . . 6.0 110.353 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 30.4 t -58.27 -40.02 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.469 0.914 . . . . 6.0 113.469 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.83 -36.82 75.16 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.736 0.698 . . . . 6.0 112.14 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.09 -43.77 73.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.774 0.715 . . . . 6.0 110.494 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.86 -41.54 70.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.073 0.549 . . . . 6.0 110.869 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.38 -59.53 2.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.158 0.583 . . . . 6.0 111.092 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.11 -37.95 49.01 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.5 1.296 . . . . 6.0 114.5 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -59.81 -59.04 6.07 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.116 0.871 . . . . 6.0 111.468 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -65.1 -30.36 71.29 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.54 -0.725 . . . . 6.0 112.678 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . 0.411 ' SG ' ' NH1' ' A' ' 369' ' ' ARG . 8.7 t -64.67 -43.8 92.4 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.971 0.908 . . . . 6.0 110.571 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.6 -31.71 71.79 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.886 -1.134 . . . . 6.0 110.795 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -71.87 -44.93 62.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.835 -1.166 . . . . 6.0 111.413 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . 0.411 ' NH1' ' SG ' ' A' ' 366' ' ' CYS . 13.7 ptt-85 -64.27 -31.18 72.28 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.917 1.235 . . . . 6.0 112.744 177.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -53.84 -32.83 54.27 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.158 1.383 . . . . 6.0 112.157 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.0 -23.84 55.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -67.03 -15.41 63.71 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.016 0.926 . . . . 6.0 113.391 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -128.76 9.45 5.9 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.624 1.97 . . . . 6.0 112.102 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 77.0 -61.17 3.42 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.289 1.899 . . . . 6.0 113.169 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -147.69 128.14 14.03 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.904 1.682 . . . . 6.0 110.859 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 5.0 p -164.27 129.93 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.605 1.562 . . . . 6.0 110.806 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -125.68 17.85 8.06 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.598 1.559 . . . . 6.0 112.151 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -64.59 -59.87 3.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.759 1.224 . . . . 6.0 111.704 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.1 t 36.33 -146.8 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 128.275 2.63 . . . . 6.0 114.913 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.6 m -142.41 -19.84 0.69 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.302 2.241 . . . . 6.0 113.344 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 125.12 83.96 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 119.473 1.033 . . . . 6.0 112.413 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -45.43 -30.17 5.48 Favored 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 125.861 4.374 . . . . 6.0 117.682 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.74 20.91 6.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.239 1.416 . . . . 6.0 113.727 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.35 -49.35 69.96 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.335 -0.853 . . . . 6.0 111.185 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -35.32 80.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.041 0.936 . . . . 6.0 112.76 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -60.49 -50.96 71.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.667 1.187 . . . . 6.0 109.087 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.48 80.96 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.391 1.076 . . . . 6.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -56.4 -41.79 76.89 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.814 1.188 . . . . 6.0 111.926 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -63.74 -43.97 94.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.363 0.665 . . . . 6.0 111.514 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.91 -41.38 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.153 0.981 . . . . 6.0 111.217 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.7 -46.95 77.08 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.918 1.687 . . . . 6.0 112.416 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.64 -44.41 97.02 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.977 -0.452 . . . . 6.0 110.134 174.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -56.18 -54.48 44.75 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.451 0.569 . . . . 6.0 110.121 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 58.8 mtp -49.94 -37.37 31.65 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.437 1.895 . . . . 6.0 113.391 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 26.8 m -71.45 -26.65 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.354 1.062 . . . . 6.0 113.309 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -100.65 -19.38 16.11 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.558 1.143 . . . . 6.0 112.448 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.71 162.27 13.57 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.022 2.129 . . . . 6.0 111.677 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -143.43 0.84 1.17 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.401 1.88 . . . . 6.0 113.691 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.86 0.99 37.03 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.04 -140.53 38.79 Favored Glycine 0 CA--C 1.537 1.422 0 O-C-N 121.065 -1.022 . . . . 6.0 114.21 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -73.24 16.01 0.2 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.284 1.434 . . . . 6.0 114.531 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -134.0 14.76 3.91 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.04 1.496 . . . . 6.0 115.04 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.9 t -57.05 151.75 14.52 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.599 1.159 . . . . 6.0 114.029 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -72.11 -24.38 61.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.37 1.468 . . . . 6.0 112.398 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 77.0 t -78.69 113.62 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.426 -0.953 . . . . 6.0 108.426 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.27 48.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -84.18 -19.78 33.48 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.892 1.071 . . . . 6.0 113.892 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 21.7 t -66.6 -66.61 0.53 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.103 1.32 . . . . 6.0 111.529 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.7 -36.2 64.43 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.42 0.896 . . . . 6.0 113.42 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 18.7 p -70.14 -52.88 20.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.827 0.285 . . . . 6.0 111.339 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 75.3 m -53.14 -44.43 67.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.505 1.122 . . . . 6.0 112.342 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -52.79 -37.71 60.12 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.928 1.691 . . . . 6.0 112.579 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -84.12 -42.7 15.77 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.516 1.526 . . . . 6.0 112.35 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.24 -40.85 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.528 1.131 . . . . 6.0 113.289 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.46 -45.35 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.606 1.562 . . . . 6.0 110.11 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.1 m -58.45 -26.93 63.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.407 1.262 . . . . 6.0 114.407 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -69.26 -55.77 9.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.678 1.126 . . . . 6.0 110.798 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.0 t-105 -59.61 -31.84 69.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.605 1.162 . . . . 6.0 112.56 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -64.39 -14.16 55.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.478 1.511 . . . . 6.0 114.368 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -132.62 -29.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.291 1.96 . . . . 6.0 116.291 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.0 t -66.95 143.49 56.78 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.912 1.233 . . . . 6.0 113.638 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.4 p -136.98 -6.68 1.85 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.368 1.867 . . . . 6.0 113.418 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.67 117.24 6.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.904 1.682 . . . . 6.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -66.52 -8.91 29.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.543 1.683 . . . . 6.0 115.543 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -125.41 15.09 8.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.88 1.272 . . . . 6.0 113.475 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.61 126.48 70.63 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 106.887 -1.523 . . . . 6.0 106.887 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.03 -36.4 38.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.063 1.842 . . . . 6.0 112.698 -173.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 85.8 t -80.74 -47.73 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 118.414 -0.803 . . . . 6.0 110.446 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.682 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 97.6 m -70.78 -29.7 65.98 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.0 tp -42.3 -53.81 8.47 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 121.053 1.751 . . . . 6.0 114.97 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.41 -34.91 97.44 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 CA-C-N 122.172 1.811 . . . . 6.0 113.159 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.38 -41.94 65.77 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.482 1.492 . . . . 6.0 111.574 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.682 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 40.5 mttt -61.59 -40.89 96.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.714 1.206 . . . . 6.0 108.461 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.24 -41.4 81.22 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.516 1.126 . . . . 6.0 111.425 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -57.59 -24.87 58.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.218 1.807 . . . . 6.0 113.358 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 40.7 p -112.75 -24.5 9.57 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.338 1.607 . . . . 6.0 115.338 -176.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.04 -7.61 30.74 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.742 1.217 . . . . 6.0 113.776 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -53.85 -26.6 25.33 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.954 1.702 . . . . 6.0 114.79 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 125.48 1.512 . . . . 6.0 112.202 179.165 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.784 0.674 . . . . 6.0 114.784 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 67.0 p -69.08 -16.24 63.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.411 1.484 . . . . 6.0 114.595 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -151.8 159.67 43.83 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.777 1.631 . . . . 6.0 111.278 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 55.2 ttp -150.91 142.82 23.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.836 1.654 . . . . 6.0 109.874 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 29.9 m -62.31 140.33 96.37 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.253 0.621 . . . . 6.0 112.095 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.3 99.72 1.29 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.192 2.594 . . . . 6.0 111.049 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -145.97 108.34 4.31 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 6.0 111.925 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 158.89 11.7 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.195 2.597 . . . . 6.0 113.481 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.46 109.12 1.08 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.687 1.995 . . . . 6.0 114.177 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.45 123.46 43.62 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.397 1.479 . . . . 6.0 110.775 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.11 121.39 9.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.045 2.497 . . . . 6.0 111.801 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.57 -33.67 64.08 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.37 -27.43 69.31 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.615 -0.678 . . . . 6.0 112.178 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.11 -26.91 19.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.732 1.213 . . . . 6.0 111.702 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -58.82 -35.37 72.76 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.245 1.384 . . . . 6.0 110.835 174.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -64.69 -21.22 66.69 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.131 1.373 . . . . 6.0 114.147 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.01 133.69 48.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.137 0.881 . . . . 6.0 111.688 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -72.5 105.85 4.34 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.225 0.61 . . . . 6.0 109.434 175.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -85.76 -8.9 57.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.073 1.349 . . . . 6.0 114.35 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.17 -46.77 99.27 Favored Pre-proline 0 N--CA 1.478 0.938 0 CA-C-N 120.701 1.591 . . . . 6.0 113.668 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.4 -32.5 81.02 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.287 1.992 . . . . 6.0 112.344 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 39.1 mtt -64.88 -16.89 63.77 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.622 1.169 . . . . 6.0 113.655 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.12 -22.2 3.98 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.425 1.268 . . . . 6.0 114.425 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.78 -28.47 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 118.914 0.779 . . . . 6.0 112.44 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.35 -12.81 48.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.067 1.747 . . . . 6.0 114.383 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -47.44 -25.57 1.1 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 117.953 2.575 . . . . 6.0 117.953 -172.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.48 33.57 1.3 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.616 1.567 . . . . 6.0 111.793 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -126.41 20.93 7.3 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.79 156.95 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.593 1.157 . . . . 6.0 111.589 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -122.3 85.06 2.35 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.631 1.972 . . . . 6.0 107.995 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -47.54 -40.24 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.242 1.417 . . . . 6.0 112.663 -173.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -87.58 -19.93 27.13 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.12 1.896 . . . . 6.0 116.12 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -93.36 -25.09 17.86 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -42.54 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.704 1.202 . . . . 6.0 112.191 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.7 tpp -58.58 143.09 82.11 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 126.05 1.74 . . . . 6.0 114.154 -174.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -68.84 10.27 0.38 Allowed 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 123.899 3.066 . . . . 6.0 114.674 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.255 0.7 OUTLIER 48.04 28.03 1.36 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.483 2.713 . . . . 6.0 117.326 177.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -102.59 -58.21 0.77 Allowed Glycine 0 CA--C 1.533 1.216 0 N-CA-C 115.067 0.787 . . . . 6.0 115.067 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -160.12 147.83 12.89 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 118.564 1.182 . . . . 6.0 112.666 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.56 -36.56 0.61 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 121.921 1.748 . . . . 6.0 111.998 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.74 -18.84 65.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.25 1.42 . . . . 6.0 113.098 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.274 0.0 OUTLIER -65.52 0.06 1.75 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.192 2.997 . . . . 6.0 112.077 175.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.19 -26.98 1.3 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.465 1.906 . . . . 6.0 114.231 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -61.41 -23.72 62.81 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.466 1.508 . . . . 6.0 114.657 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -126.32 -14.63 5.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.911 1.685 . . . . 6.0 113.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -64.8 -24.56 67.59 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.458 1.503 . . . . 6.0 113.17 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 15.3 t -149.51 -162.4 1.55 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.172 1.789 . . . . 6.0 110.81 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 5.2 m -43.55 157.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 129.048 2.939 . . . . 6.0 117.29 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -144.77 -170.25 3.36 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.536 1.535 . . . . 6.0 112.687 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.88 -21.31 0.4 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 117.283 2.327 . . . . 6.0 117.283 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.6 p -82.71 -25.98 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.756 1.222 . . . . 6.0 112.879 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.3 -41.18 25.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.1 1.76 . . . . 6.0 113.64 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.63 129.16 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 122.177 0.989 . . . . 6.0 111.783 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 31.7 p -70.67 1.59 5.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.22 2.304 . . . . 6.0 117.22 -175.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 44.83 54.61 13.02 Favored Pre-proline 0 N--CA 1.483 1.214 0 C-N-CA 126.217 1.807 . . . . 6.0 113.905 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.25 -14.9 31.66 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.191 3.261 . . . . 6.0 114.911 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 125.695 1.598 . . . . 6.0 113.512 -179.501 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.713 1.005 . . . . 6.0 113.713 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 37.3 p -72.64 -20.85 61.19 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.438 1.495 . . . . 6.0 114.036 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -175.37 53.46 0.13 Allowed Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.717 1.151 . . . . 6.0 114.561 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -61.47 -25.3 79.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.119 2.546 . . . . 6.0 113.498 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 31.3 p -67.12 -11.33 56.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.391 1.477 . . . . 6.0 113.735 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -131.88 9.52 4.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.122 1.769 . . . . 6.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -43.02 106.6 0.49 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.86 1.664 . . . . 6.0 113.447 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.87 -38.17 85.65 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.783 2.989 . . . . 6.0 115.053 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -69.85 -44.25 70.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 6.0 111.85 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -65.04 -46.51 80.96 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.354 -0.841 . . . . 6.0 110.3 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -52.78 -45.7 67.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.348 1.459 . . . . 6.0 110.082 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.6 -43.12 99.45 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.796 1.238 . . . . 6.0 111.805 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.55 -48.39 81.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -38.84 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.558 1.526 . . . . 6.0 110.634 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -57.8 -45.51 85.98 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.195 0.907 . . . . 6.0 112.127 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.68 -48.19 78.15 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.309 1.044 . . . . 6.0 111.736 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.41 -44.15 92.16 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.665 1.12 . . . . 6.0 111.143 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.23 -52.4 59.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.875 0.87 . . . . 6.0 110.687 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 21.2 t -65.59 -38.9 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.706 0.632 . . . . 6.0 112.706 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -39.29 85.9 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.374 0.988 . . . . 6.0 111.619 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.76 -45.4 82.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.821 0.737 . . . . 6.0 110.284 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.25 -46.07 79.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.948 0.499 . . . . 6.0 110.999 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . 0.585 ' CE1' ' HZ2' ' A' ' 365' ' ' LYS . 42.8 t60 -60.32 -57.72 11.56 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 122.745 0.418 . . . . 6.0 109.986 176.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.03 -33.33 67.09 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.986 1.106 . . . . 6.0 113.986 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -64.61 -54.75 26.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.685 1.129 . . . . 6.0 109.591 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . 0.585 ' HZ2' ' CE1' ' A' ' 362' ' ' HIS . 0.0 OUTLIER -53.04 -43.37 66.56 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.582 1.153 . . . . 6.0 111.047 173.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . 0.432 ' CB ' ' HZ3' ' A' ' 365' ' ' LYS . 1.8 t -70.86 -38.16 73.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.405 0.682 . . . . 6.0 111.275 -176.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.95 -35.9 81.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.304 1.042 . . . . 6.0 110.229 173.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.73 -39.19 70.77 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.933 0.788 . . . . 6.0 111.093 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -59.96 -50.55 73.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.232 0.924 . . . . 6.0 111.239 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.82 -37.72 86.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.815 1.246 . . . . 6.0 112.65 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -72.57 -41.27 65.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.543 0.737 . . . . 6.0 112.122 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.05 80.41 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.572 0.749 . . . . 6.0 112.097 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . 0.286 0.0 OUTLIER 57.97 175.6 0.06 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.664 2.785 . . . . 6.0 115.948 179.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 92.82 -20.73 43.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.093 1.33 . . . . 6.0 115.182 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.72 16.63 4.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.554 1.542 . . . . 6.0 112.768 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.98 135.13 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.964 1.305 . . . . 6.0 111.086 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -149.47 35.54 0.72 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.926 1.29 . . . . 6.0 112.708 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . 59.74 -169.1 0.15 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.452 1.901 . . . . 6.0 113.214 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 6.1 t -141.98 177.12 8.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.618 1.567 . . . . 6.0 111.731 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.6 m -141.51 -5.63 1.06 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.03 122.21 81.61 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 119.966 1.257 . . . . 6.0 109.615 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -34.4 -36.05 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.856 1 C-N-CA 126.334 4.689 . . . . 6.0 121.578 -174.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -129.97 22.32 5.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.004 1.275 . . . . 6.0 114.096 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 7.7 t -51.28 -53.25 37.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.89 1.276 . . . . 6.0 111.385 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -35.41 74.93 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.613 1.165 . . . . 6.0 113.149 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.1 m -66.03 -50.9 62.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.818 0.847 . . . . 6.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 26.1 mmt -63.43 -42.63 98.7 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 123.427 0.691 . . . . 6.0 111.264 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.23 -42.34 81.22 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.644 1.111 . . . . 6.0 111.676 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -63.8 -43.49 96.12 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.985 0.514 . . . . 6.0 111.517 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.97 -41.43 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.991 0.916 . . . . 6.0 111.46 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.18 -46.22 71.28 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.684 1.594 . . . . 6.0 111.344 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.98 -41.35 96.25 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.773 -0.58 . . . . 6.0 110.067 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.94 -50.67 72.84 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.064 0.847 . . . . 6.0 110.439 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 61.8 mtp -52.93 -35.72 58.81 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.471 1.508 . . . . 6.0 112.088 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.0 m -71.73 -0.75 11.75 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.013 1.325 . . . . 6.0 113.843 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -130.02 -22.79 2.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.613 1.565 . . . . 6.0 112.581 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.08 160.64 17.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.32 1.848 . . . . 6.0 112.864 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -141.33 1.4 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.727 2.011 . . . . 6.0 113.561 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.42 0.58 32.71 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.008 1.855 . . . . 6.0 116.008 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.43 -142.51 36.52 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.09 -1.006 . . . . 6.0 114.159 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.09 19.97 0.14 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.22 1.408 . . . . 6.0 113.861 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -135.13 13.8 3.56 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.735 1.614 . . . . 6.0 114.79 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.9 t -56.23 152.03 11.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 6.0 114.434 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.62 -24.68 62.78 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.907 1.283 . . . . 6.0 111.782 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t -82.82 110.8 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.364 -1.347 . . . . 6.0 107.364 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.43 58.24 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.731 1.382 . . . . 6.0 114.731 -175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.74 -32.22 62.04 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.988 -1.006 . . . . 6.0 113.65 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.5 -64.24 0.99 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.273 1.429 . . . . 6.0 112.68 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.85 80.46 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.676 -0.64 . . . . 6.0 112.605 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -63.87 -47.97 78.56 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.622 0.369 . . . . 6.0 110.912 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.4 m -59.7 -46.18 89.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.354 1.462 . . . . 6.0 111.637 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -52.72 -42.62 65.03 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.926 0.891 . . . . 6.0 111.885 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -74.09 -44.18 54.95 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.524 0.73 . . . . 6.0 112.29 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.06 -43.23 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.526 1.131 . . . . 6.0 113.701 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.1 mt -55.17 -48.66 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.89 1.676 . . . . 6.0 110.761 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.3 m -57.47 -23.09 47.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.111 1.523 . . . . 6.0 115.111 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.25 -58.1 4.15 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.899 1.227 . . . . 6.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -61.44 -28.8 69.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.802 0.841 . . . . 6.0 112.561 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -63.78 -19.99 65.42 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.543 1.312 . . . . 6.0 114.543 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.54 -28.76 2.48 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.829 1.789 . . . . 6.0 115.829 -173.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . 0.424 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.4 t -67.94 149.59 49.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.481 1.037 . . . . 6.0 112.792 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 63.2 p -139.87 -24.87 0.82 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.843 1.423 . . . . 6.0 114.843 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.71 119.85 7.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.831 1.196 . . . . 6.0 112.905 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -63.01 -6.83 4.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.698 1.999 . . . . 6.0 116.093 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.95 7.35 13.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.845 1.658 . . . . 6.0 113.522 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.8 t -48.77 126.46 13.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.856 1.662 . . . . 6.0 113.133 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -52.7 -23.0 18.79 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.637 2.891 . . . . 6.0 116.122 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 8.8 t -116.17 -44.95 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 116.682 -1.628 . . . . 6.0 110.994 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.557 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 36.9 m -69.89 -23.31 63.23 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.726 2.057 . . . . 6.0 114.375 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.9 tp -39.28 -56.62 2.61 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 121.625 2.011 . . . . 6.0 114.458 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -58.61 -33.98 98.56 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.152 1.901 . . . . 6.0 114.008 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.6 mp -74.04 -42.62 59.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.016 1.735 . . . . 6.0 111.18 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.557 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 43.3 mttt -60.96 -37.14 81.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.758 1.223 . . . . 6.0 108.952 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.89 -49.71 49.52 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.085 1.354 . . . . 6.0 110.362 172.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -47.96 -27.03 1.98 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.007 2.123 . . . . 6.0 114.629 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.93 22.95 10.22 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.671 1.188 . . . . 6.0 114.104 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -145.98 38.11 1.08 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.796 1.238 . . . . 6.0 112.109 176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -65.13 -5.81 7.6 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.14 1.376 . . . . 6.0 114.318 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 127.948 2.499 . . . . 6.0 112.841 179.041 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.543 0 N-CA-C 114.787 0.675 . . . . 6.0 114.787 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 46.1 m -132.74 12.1 4.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.93 1.692 . . . . 6.0 113.401 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -151.93 170.04 20.82 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.743 1.617 . . . . 6.0 111.976 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 57.8 ttp -65.67 155.21 36.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.511 1.125 . . . . 6.0 111.397 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.4 149.75 73.22 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 125.597 1.559 . . . . 6.0 110.791 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.66 8.89 1.11 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.945 3.097 . . . . 6.0 118.121 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.19 104.49 3.81 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.581 1.552 . . . . 6.0 113.445 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -66.24 159.73 48.49 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.955 3.103 . . . . 6.0 109.432 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -78.8 106.81 11.06 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.966 -1.084 . . . . 6.0 113.665 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.4 tt -27.99 129.61 0.21 Allowed Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 131.247 3.819 . . . . 6.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -54.86 128.17 29.33 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.409 2.073 . . . . 6.0 113.562 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -47.8 -42.14 25.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.241 1.816 . . . . 6.0 115.141 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.24 -28.22 68.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.331 -0.856 . . . . 6.0 113.04 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 37.2 mt -89.36 -20.1 24.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.193 0.997 . . . . 6.0 112.618 175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.86 -34.12 67.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 120.504 1.502 . . . . 6.0 111.442 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -68.58 -17.19 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.227 1.811 . . . . 6.0 114.093 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.51 116.42 16.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.303 0.956 . . . . 6.0 109.848 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.52 115.38 10.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.803 -0.814 . . . . 6.0 108.803 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 22.5 p -81.1 -5.28 57.47 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.148 1.907 . . . . 6.0 116.148 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -53.46 -44.81 98.34 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-N 120.459 1.481 . . . . 6.0 114.175 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -63.29 -37.57 49.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.436 2.091 . . . . 6.0 111.578 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -17.12 62.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.401 1.08 . . . . 6.0 113.512 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -54.37 -22.93 13.61 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.401 1.455 . . . . 6.0 114.42 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.38 -26.48 40.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 119.411 1.005 . . . . 6.0 111.924 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -89.9 -10.02 46.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.99 2.116 . . . . 6.0 113.932 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -46.05 -24.17 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 118.092 2.627 . . . . 6.0 118.092 -171.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 32.37 1.52 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.361 1.464 . . . . 6.0 112.36 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 8.4 m -128.82 18.94 6.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.048 1.87 . . . . 6.0 116.048 -172.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.9 150.2 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.919 0.781 . . . . 6.0 112.452 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -116.73 86.43 2.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.826 2.05 . . . . 6.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.45 -36.91 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.724 1.21 . . . . 6.0 112.617 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -90.32 -19.95 23.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.643 2.09 . . . . 6.0 116.643 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.58 -16.49 16.74 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 120.423 1.465 . . . . 6.0 114.871 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -41.81 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.299 1.04 . . . . 6.0 110.914 175.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 31.5 tpp -59.97 144.5 86.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.589 1.955 . . . . 6.0 114.944 -173.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.41 -4.38 3.21 Favored 'Trans proline' 0 CA--C 1.548 1.214 0 C-N-CA 123.883 3.056 . . . . 6.0 115.548 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.318 0.7 OUTLIER 47.91 58.83 4.67 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 128.057 2.543 . . . . 6.0 115.74 179.307 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -135.13 -51.94 0.07 OUTLIER Glycine 0 CA--C 1.536 1.348 0 N-CA-C 115.178 0.831 . . . . 6.0 115.178 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.04 150.34 18.8 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.681 1.592 . . . . 6.0 111.529 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.84 -31.17 1.98 Allowed 'Trans proline' 0 CA--C 1.551 1.33 0 CA-C-N 121.447 1.553 . . . . 6.0 110.988 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.44 -13.47 58.81 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.826 1.65 . . . . 6.0 112.907 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.257 0.4 OUTLIER -52.68 -23.92 7.58 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 129.714 3.206 . . . . 6.0 111.65 175.021 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.76 -33.68 7.43 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.374 1.87 . . . . 6.0 112.941 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.63 -21.69 15.33 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.236 1.398 . . . . 6.0 115.297 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.31 -5.07 5.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.947 1.699 . . . . 6.0 113.327 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -118.31 18.7 13.64 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.241 1.416 . . . . 6.0 113.961 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 82.8 p -127.53 170.11 12.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.871 1.268 . . . . 6.0 111.17 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.82 -178.98 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.699 1.6 . . . . 6.0 114.217 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -143.52 177.27 8.58 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.221 1.193 . . . . 6.0 114.221 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.59 -33.35 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.507 -1.37 . . . . 6.0 112.416 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 4.2 p -76.34 0.32 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.94 1.696 . . . . 6.0 112.873 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -112.44 -41.68 3.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.273 2.229 . . . . 6.0 113.739 -175.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.65 -9.98 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.815 1.246 . . . . 6.0 112.76 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 10.3 t -157.0 172.89 17.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.61 1.964 . . . . 6.0 111.03 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 154.75 47.1 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 126.02 1.728 . . . . 6.0 112.726 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.41 165.74 27.91 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.082 2.521 . . . . 6.0 113.102 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 125.507 1.523 . . . . 6.0 113.093 179.725 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.943 0 N-CA-C 112.587 0.588 . . . . 6.0 112.587 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.7 p -59.01 -22.64 60.99 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.621 1.712 . . . . 6.0 115.621 -177.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -157.99 179.59 33.58 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 119.494 1.043 . . . . 6.0 114.344 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.19 -14.66 34.98 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.873 3.048 . . . . 6.0 114.04 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.6 p -130.54 3.14 4.58 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.955 1.702 . . . . 6.0 114.555 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.04 37.2 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.862 1.21 . . . . 6.0 111.331 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -149.7 95.53 3.7 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.695 1.198 . . . . 6.0 110.451 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -50.84 -39.81 57.92 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.703 3.602 . . . . 6.0 114.905 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.42 -53.71 32.49 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.133 0.973 . . . . 6.0 111.164 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -40.62 93.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.719 0.808 . . . . 6.0 111.007 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -52.83 -50.35 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.052 1.741 . . . . 6.0 111.486 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -60.27 -34.47 73.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.717 0.807 . . . . 6.0 112.223 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.2 -50.62 60.2 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.781 -1.104 . . . . 6.0 112.786 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.21 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 120.396 1.453 . . . . 6.0 110.79 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.57 -51.75 58.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.406 1.003 . . . . 6.0 112.282 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.5 -39.23 77.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.064 -0.97 . . . . 6.0 113.206 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.54 -44.88 89.41 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.527 1.512 . . . . 6.0 110.799 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.52 -53.34 55.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.824 0.85 . . . . 6.0 110.154 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.84 -38.01 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.26 -39.77 91.57 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.487 1.04 . . . . 6.0 111.876 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.12 -44.99 94.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.898 0.772 . . . . 6.0 110.412 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.27 -45.28 88.18 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.559 0.744 . . . . 6.0 111.383 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.19 -57.67 11.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.346 0.521 . . . . 6.0 110.169 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.32 57.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.2 1.4 . . . . 6.0 114.069 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.8 -53.67 50.67 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.042 0.837 . . . . 6.0 110.919 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -60.39 -37.19 80.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.75 0.82 . . . . 6.0 111.575 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.6 -34.66 76.17 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.631 1.172 . . . . 6.0 111.541 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -69.33 -37.82 77.9 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.726 -1.234 . . . . 6.0 110.181 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -54.95 -22.93 16.69 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.05 0.94 . . . . 6.0 113.348 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -57.35 -30.13 64.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.389 0.995 . . . . 6.0 111.832 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.91 -24.93 65.26 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.967 -1.083 . . . . 6.0 112.584 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -89.92 -40.77 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.684 1.194 . . . . 6.0 110.839 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.85 -20.09 53.69 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -142.34 -48.45 0.35 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.953 1.301 . . . . 6.0 113.786 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 82.62 -175.68 53.41 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.795 0.712 . . . . 6.0 112.225 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 52.66 27.95 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.036 1.734 . . . . 6.0 115.673 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.94 145.94 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.751 1.22 . . . . 6.0 110.512 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -130.87 -35.61 1.41 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.653 1.181 . . . . 6.0 113.801 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -156.9 -179.67 8.43 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.711 1.205 . . . . 6.0 112.807 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 34.2 t -132.95 -165.09 1.56 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.455 2.302 . . . . 6.0 110.21 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.9 t -129.68 -21.28 3.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.094 2.158 . . . . 6.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.27 125.07 91.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.121 0.968 . . . . 6.0 108.828 175.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -47.98 143.04 14.36 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.808 2.339 . . . . 6.0 113.675 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 58.67 8.76 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.687 2.106 . . . . 6.0 116.687 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 12.0 t -52.54 -45.18 66.24 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 120.768 1.622 . . . . 6.0 111.644 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -28.3 69.66 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 31.3 m -66.86 -48.54 68.52 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.101 1.36 . . . . 6.0 108.645 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -47.74 71.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 124.591 1.156 . . . . 6.0 111.664 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -53.32 -41.11 65.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.909 1.232 . . . . 6.0 112.099 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.22 -47.19 80.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.747 0.819 . . . . 6.0 111.769 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.06 -38.88 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.623 1.169 . . . . 6.0 111.843 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.4 -49.1 62.5 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 126.218 1.807 . . . . 6.0 112.451 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -59.75 -40.51 88.37 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 122.073 -0.392 . . . . 6.0 110.367 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.44 -53.72 54.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.446 0.698 . . . . 6.0 110.296 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.6 mtp -52.47 -34.98 51.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.961 1.704 . . . . 6.0 113.777 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 18.0 m -67.26 -16.04 64.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 6.0 113.296 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -118.84 -25.77 6.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.198 1.399 . . . . 6.0 112.487 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.3 143.67 57.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.29 1.436 . . . . 6.0 110.017 173.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.9 31.13 1.05 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.92 1.288 . . . . 6.0 112.064 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -64.14 -16.38 61.75 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.409 1.633 . . . . 6.0 115.409 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.26 55.02 5.34 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.069 0.85 . . . . 6.0 113.818 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp 56.56 35.66 26.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.728 1.611 . . . . 6.0 113.239 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -143.2 17.64 1.91 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.492 1.517 . . . . 6.0 113.624 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.91 158.7 18.46 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.441 1.496 . . . . 6.0 113.653 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -76.85 -21.8 54.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.438 1.495 . . . . 6.0 112.511 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.91 117.46 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.018 0.927 . . . . 6.0 108.818 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.97 56.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.322 1.971 . . . . 6.0 116.322 -174.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.91 -25.17 21.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.128 1.159 . . . . 6.0 114.128 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.5 t -56.56 -65.59 0.58 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.786 1.635 . . . . 6.0 113.6 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.41 75.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.014 0.525 . . . . 6.0 112.393 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 64.9 m -66.65 -47.26 73.11 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.229 -0.294 . . . . 6.0 111.522 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -58.31 -43.47 88.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.728 1.211 . . . . 6.0 112.22 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.35 -43.35 54.06 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.577 1.551 . . . . 6.0 112.029 176.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -83.62 -40.91 18.43 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.872 1.269 . . . . 6.0 112.46 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.09 -41.75 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.299 0.954 . . . . 6.0 112.065 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.23 -49.25 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.086 1.354 . . . . 6.0 109.838 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 51.8 m -56.92 -31.09 64.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.635 0.976 . . . . 6.0 113.635 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.82 -57.55 8.58 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.91 0.777 . . . . 6.0 110.618 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -55.98 -33.92 65.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.539 1.536 . . . . 6.0 112.874 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -67.48 -13.21 61.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -132.13 -23.33 2.2 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.567 2.062 . . . . 6.0 116.567 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . 0.419 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.0 t -62.77 148.25 47.38 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.152 1.342 . . . . 6.0 113.445 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.7 p -132.0 -14.67 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.63 1.572 . . . . 6.0 114.389 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -68.02 117.97 10.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.589 1.086 . . . . 6.0 110.779 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.0 -36.15 83.02 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 122.126 -0.359 . . . . 6.0 110.508 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.44 5.18 24.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.031 1.493 . . . . 6.0 115.031 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.84 125.45 39.09 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 107.392 -1.336 . . . . 6.0 107.392 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.22 -33.58 71.23 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.418 2.078 . . . . 6.0 112.28 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.35 -45.4 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 123.821 0.848 . . . . 6.0 111.169 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.721 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 96.3 m -73.94 -30.99 62.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.035 1.494 . . . . 6.0 115.035 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.6 tp -41.15 -52.9 6.92 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 120.898 1.681 . . . . 6.0 114.997 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -60.71 -34.84 91.42 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 122.089 1.782 . . . . 6.0 113.144 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.44 -40.9 66.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.341 1.428 . . . . 6.0 111.196 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.721 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 38.5 mttt -63.05 -31.45 72.6 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.131 1.372 . . . . 6.0 110.066 176.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.97 -47.48 44.98 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.677 1.191 . . . . 6.0 109.995 171.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.71 -21.31 27.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.024 1.73 . . . . 6.0 113.707 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 68.8 p -123.6 17.62 9.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.165 1.786 . . . . 6.0 113.433 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -65.42 126.88 29.65 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.954 1.302 . . . . 6.0 111.415 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -24.44 67.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.354 1.462 . . . . 6.0 113.416 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 127.412 2.285 . . . . 6.0 113.983 -179.793 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 N-CA-C 114.602 0.601 . . . . 6.0 114.602 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 77.9 p -74.18 -20.47 60.19 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.334 1.454 . . . . 6.0 114.742 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -146.55 6.86 0.96 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.418 1.487 . . . . 6.0 114.432 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -152.1 161.03 43.25 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.641 1.577 . . . . 6.0 111.55 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 28.8 m -78.57 157.3 77.43 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 123.916 0.886 . . . . 6.0 112.294 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.96 23.12 0.05 OUTLIER 'Trans proline' 0 CA--C 1.548 1.18 1 C-N-CA 125.543 4.162 . . . . 6.0 118.854 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -151.82 120.37 3.36 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.557 1.943 . . . . 6.0 110.726 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -55.29 160.25 8.92 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 122.922 2.415 . . . . 6.0 113.394 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.53 110.7 2.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.715 1.606 . . . . 6.0 114.184 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.48 121.28 59.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.111 1.764 . . . . 6.0 111.041 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.69 123.09 11.52 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.197 2.598 . . . . 6.0 112.773 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.55 -36.4 61.81 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.84 -25.2 67.1 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.014 0.925 . . . . 6.0 112.35 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.11 -28.62 18.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.664 1.186 . . . . 6.0 112.627 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -56.85 -37.87 71.88 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.024 1.284 . . . . 6.0 110.337 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -60.92 -27.78 68.44 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.753 2.021 . . . . 6.0 114.1 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.69 138.17 58.24 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.983 0.81 . . . . 6.0 112.884 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -75.36 103.41 5.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.642 0.777 . . . . 6.0 110.42 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.46 -7.42 56.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.027 1.331 . . . . 6.0 114.338 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.97 -46.81 99.5 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 120.209 1.368 . . . . 6.0 113.715 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.8 -22.37 23.76 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 121.593 1.605 . . . . 6.0 111.293 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 19.2 mtt -67.68 -17.14 64.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.441 1.096 . . . . 6.0 113.358 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.09 -22.67 2.57 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.724 1.379 . . . . 6.0 114.724 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 20.7 pt -67.14 -29.13 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 118.946 0.794 . . . . 6.0 112.77 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -81.53 -17.03 49.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.926 1.69 . . . . 6.0 114.707 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 -45.99 -18.4 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.879 2.871 . . . . 6.0 118.629 -174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.13 30.7 1.04 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.195 1.398 . . . . 6.0 111.972 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.9 m -131.31 10.33 4.86 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.857 2.169 . . . . 6.0 116.857 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.8 127.11 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 114.288 1.218 . . . . 6.0 114.288 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -87.51 85.96 7.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.576 1.55 . . . . 6.0 109.855 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.6 mt -47.87 -38.04 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.94 1.296 . . . . 6.0 112.694 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -90.07 -19.68 24.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.906 1.817 . . . . 6.0 115.906 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.01 -16.58 16.42 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.167 1.543 . . . . 6.0 115.167 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -44.39 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.406 1.082 . . . . 6.0 111.25 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.1 tpp -58.11 141.52 81.57 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.567 1.947 . . . . 6.0 114.993 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.51 4.9 2.66 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.021 3.147 . . . . 6.0 114.473 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.17 29.7 18.3 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.48 2.312 . . . . 6.0 116.286 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -77.43 -87.08 0.4 Allowed Glycine 0 CA--C 1.537 1.426 0 O-C-N 121.298 -0.876 . . . . 6.0 113.468 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -155.26 151.28 22.36 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.999 2.119 . . . . 6.0 109.463 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.66 -51.22 0.19 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.531 1.487 . . . . 6.0 114.25 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.66 -26.27 67.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 6.0 113.297 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -24.53 64.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.409 2.684 . . . . 6.0 111.771 177.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.96 -10.59 4.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.852 1.797 . . . . 6.0 115.852 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.7 55.51 Favored Glycine 0 CA--C 1.536 1.371 0 O-C-N 121.144 -0.973 . . . . 6.0 112.943 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -132.96 -9.94 3.03 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.0 -19.26 65.8 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 10.0 t -154.88 155.79 34.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.691 1.596 . . . . 6.0 111.241 -174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 8.9 m 32.18 63.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 127.123 2.169 . . . . 6.0 113.959 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.09 168.6 0.97 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.181 1.919 . . . . 6.0 116.181 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -48.02 -43.16 29.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.132 1.373 . . . . 6.0 114.419 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.11 -30.54 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.917 0.887 . . . . 6.0 112.246 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.21 -26.67 66.72 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.567 1.947 . . . . 6.0 112.676 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.94 29.28 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.271 1.428 . . . . 6.0 112.936 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 82.6 p 47.72 36.75 5.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.606 2.362 . . . . 6.0 115.642 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.05 31.08 0.21 Allowed Pre-proline 0 CA--C 1.556 1.2 0 N-CA-C 115.668 1.729 . . . . 6.0 115.668 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.52 -13.7 27.57 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.974 2.449 . . . . 6.0 114.465 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 125.709 1.604 . . . . 6.0 111.737 -179.199 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.796 1.035 . . . . 6.0 113.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.7 t -159.97 176.62 11.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.023 1.729 . . . . 6.0 111.158 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.05 165.87 37.73 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.307 1.432 . . . . 6.0 112.686 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -62.65 148.61 93.13 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.11 2.54 . . . . 6.0 111.442 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 26.6 p 52.29 8.78 0.08 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 127.868 2.467 . . . . 6.0 116.498 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -143.46 19.94 1.87 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.243 1.817 . . . . 6.0 112.396 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.33 107.98 1.04 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 124.643 1.177 . . . . 6.0 112.553 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.45 -40.94 77.19 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.863 3.042 . . . . 6.0 115.489 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.15 -42.88 65.47 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.301 -0.874 . . . . 6.0 111.752 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.23 -45.62 92.51 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.85 -0.531 . . . . 6.0 109.722 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.48 -45.28 62.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.817 1.247 . . . . 6.0 110.032 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -64.09 -41.7 97.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.429 0.691 . . . . 6.0 112.141 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.22 -51.24 70.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -42.06 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.318 1.417 . . . . 6.0 110.751 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.16 -47.66 74.83 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.353 0.978 . . . . 6.0 112.422 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.63 -46.84 83.86 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.323 -0.846 . . . . 6.0 111.788 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.12 -44.37 92.43 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.007 1.276 . . . . 6.0 110.851 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.4 -55.37 29.33 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.161 0.984 . . . . 6.0 110.13 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.3 t -62.14 -38.25 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 113.15 0.796 . . . . 6.0 113.15 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.39 -39.12 78.81 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.167 0.894 . . . . 6.0 111.616 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.51 -44.29 78.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.164 0.586 . . . . 6.0 110.741 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.8 -40.67 80.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.999 0.52 . . . . 6.0 111.176 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -64.08 -60.56 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.004 0.522 . . . . 6.0 110.052 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.95 -37.05 60.71 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.803 1.241 . . . . 6.0 114.329 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -56.6 -59.12 5.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.111 0.964 . . . . 6.0 111.852 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.95 -32.31 69.16 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.455 -0.778 . . . . 6.0 112.538 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 7.1 t -62.53 -45.09 94.55 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.576 0.625 . . . . 6.0 110.973 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -56.84 -42.86 80.44 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.264 1.026 . . . . 6.0 111.507 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -57.22 -46.35 83.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 6.0 111.521 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -71.39 -43.73 66.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.918 0.887 . . . . 6.0 112.41 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.66 -42.11 87.65 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.375 1.47 . . . . 6.0 111.815 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.22 -38.34 75.22 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.859 0.864 . . . . 6.0 112.053 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -71.6 -29.28 64.51 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.705 1.002 . . . . 6.0 113.705 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.34 127.39 31.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.95 1.3 . . . . 6.0 112.185 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -62.48 -14.75 50.63 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.326 1.441 . . . . 6.0 116.607 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -135.0 26.18 3.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.214 1.806 . . . . 6.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . 0.267 4.9 p 57.66 -46.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.239 1 C-N-CA 131.779 4.032 . . . . 6.0 116.488 -177.396 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 35.84 59.37 0.87 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.401 2.68 . . . . 6.0 114.288 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -50.43 150.82 2.45 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.559 1.544 . . . . 6.0 114.862 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.83 -179.7 0.74 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.577 1.951 . . . . 6.0 116.263 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 68.7 m -136.23 -3.29 2.2 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.13 2.572 . . . . 6.0 114.402 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.19 127.0 85.48 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 120.392 1.451 . . . . 6.0 107.237 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -34.27 -33.26 0.07 OUTLIER 'Trans proline' 0 CA--C 1.543 0.954 1 C-N-CA 126.234 4.623 . . . . 6.0 121.587 -173.111 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -132.33 20.37 4.39 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.037 1.289 . . . . 6.0 113.5 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.9 t -49.57 -51.77 34.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.216 1.006 . . . . 6.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -34.06 74.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.101 0.96 . . . . 6.0 113.161 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.4 m -64.33 -50.65 66.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 6.0 109.058 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -45.13 85.79 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.859 0.864 . . . . 6.0 111.287 177.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -55.1 -41.58 71.8 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.798 1.181 . . . . 6.0 111.991 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.02 -45.15 82.54 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.644 0.778 . . . . 6.0 112.004 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.4 -41.99 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.396 1.078 . . . . 6.0 111.561 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.8 -46.55 84.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.04 1.736 . . . . 6.0 111.717 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.22 -44.19 95.39 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.632 -0.667 . . . . 6.0 110.854 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -58.97 -50.03 75.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.408 0.683 . . . . 6.0 110.778 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 62.5 mtp -53.57 -34.22 57.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.149 1.78 . . . . 6.0 112.94 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 10.3 m -70.72 -1.93 12.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.535 1.134 . . . . 6.0 113.363 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -129.1 -29.56 2.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.48 1.512 . . . . 6.0 111.938 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.64 152.25 39.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.378 1.471 . . . . 6.0 112.552 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -141.68 11.34 2.06 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.126 1.77 . . . . 6.0 112.695 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.44 7.92 2.59 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.59 1.7 . . . . 6.0 115.59 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 53.71 -135.77 41.74 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.932 -1.105 . . . . 6.0 113.39 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -83.32 16.18 2.62 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.483 1.513 . . . . 6.0 113.662 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -128.55 14.8 6.54 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.866 1.432 . . . . 6.0 114.866 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 24.9 t -58.29 151.9 18.56 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.763 1.225 . . . . 6.0 113.899 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -70.27 -27.13 64.18 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.343 1.457 . . . . 6.0 111.475 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.4 t -83.48 109.75 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 108.12 -1.067 . . . . 6.0 108.12 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.59 -40.74 39.86 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.15 -22.39 36.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.185 1.18 . . . . 6.0 114.185 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.3 t -65.43 -63.38 1.11 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.28 1.4 . . . . 6.0 111.122 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.52 69.29 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.648 0.981 . . . . 6.0 113.648 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 19.3 p -68.21 -53.09 27.25 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 117.957 0.344 . . . . 6.0 111.046 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.9 m -52.74 -48.19 66.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.504 1.122 . . . . 6.0 112.355 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.23 -39.64 45.2 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.125 1.77 . . . . 6.0 112.364 177.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -81.97 -42.74 18.99 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.923 1.289 . . . . 6.0 112.634 173.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.47 -42.35 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.763 1.225 . . . . 6.0 113.261 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 11.6 mt -59.75 -47.59 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.199 1.4 . . . . 6.0 110.389 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.7 m -55.33 -23.38 23.46 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.32 1.23 . . . . 6.0 114.32 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -74.73 -56.18 5.07 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.579 1.081 . . . . 6.0 111.094 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.49 -33.08 70.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.746 0.818 . . . . 6.0 112.058 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -67.31 -9.88 45.43 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.009 1.723 . . . . 6.0 114.015 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -33.0 1.14 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.525 2.046 . . . . 6.0 116.525 -174.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.35 150.49 48.2 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.462 1.028 . . . . 6.0 113.629 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 62.9 p -140.72 -8.12 1.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.595 1.958 . . . . 6.0 113.807 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.6 117.5 6.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.75 1.62 . . . . 6.0 111.489 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -67.35 -8.82 35.53 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.528 1.677 . . . . 6.0 115.528 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.37 15.3 8.3 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.929 1.292 . . . . 6.0 113.202 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 45.9 t -54.97 125.91 57.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 107.01 -1.478 . . . . 6.0 107.01 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.91 -40.41 44.22 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.055 1.837 . . . . 6.0 111.649 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.19 -53.52 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 117.823 -1.084 . . . . 6.0 111.067 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.664 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 74.6 m -69.07 -29.65 67.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.85 1.796 . . . . 6.0 115.85 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.1 tp -41.2 -54.82 5.58 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 120.933 1.697 . . . . 6.0 114.959 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.71 -39.13 92.88 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.044 1.766 . . . . 6.0 113.082 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.94 -44.81 65.35 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.973 1.26 . . . . 6.0 111.837 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.664 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 41.7 mttt -58.79 -28.26 65.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.352 1.461 . . . . 6.0 110.52 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -89.95 -29.33 18.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.414 1.886 . . . . 6.0 113.193 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.59 79.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.086 2.154 . . . . 6.0 114.152 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' B' ' 818' ' ' ASN 0.297 0.8 OUTLIER -84.37 48.99 1.58 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.368 1.618 . . . . 6.0 115.368 -174.85 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -151.27 145.87 25.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.046 1.338 . . . . 6.0 111.625 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -80.54 58.28 3.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.722 1.609 . . . . 6.0 112.085 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 . . . . . 0 N--CA 1.48 1.034 0 C-N-CA 125.87 1.668 . . . . 6.0 113.386 -177.588 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.373 0 N-CA-C 114.551 0.58 . . . . 6.0 114.551 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 6.4 m -57.52 -9.25 1.04 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.579 1.951 . . . . 6.0 115.704 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -126.53 12.28 7.46 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.798 2.039 . . . . 6.0 113.014 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 26.6 ttt -68.17 -9.85 49.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.999 1.32 . . . . 6.0 114.254 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 7.8 m -140.27 151.51 64.61 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.313 2.245 . . . . 6.0 110.8 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -78.28 7.9 3.85 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.837 3.024 . . . . 6.0 115.44 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -68.85 119.18 67.71 Favored Pre-proline 0 CA--C 1.545 0.75 0 C-N-CA 127.642 2.377 . . . . 6.0 110.976 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.63 161.16 8.17 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 123.181 2.587 . . . . 6.0 112.964 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.32 108.12 1.24 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.105 1.762 . . . . 6.0 114.132 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.76 125.26 37.87 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 126.427 1.891 . . . . 6.0 110.117 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.16 126.66 23.28 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 122.598 2.199 . . . . 6.0 113.749 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -46.82 -42.47 17.22 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.477 1.911 . . . . 6.0 114.865 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.37 -26.29 66.39 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.94 0.896 . . . . 6.0 113.41 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.15 -24.5 21.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.399 1.08 . . . . 6.0 112.723 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -54.73 -38.68 67.42 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.215 1.37 . . . . 6.0 111.838 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.21 -12.74 61.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 6.0 114.576 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.68 131.35 43.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.464 1.029 . . . . 6.0 111.026 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.19 106.14 3.68 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.308 0.643 . . . . 6.0 109.452 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.5 p -86.47 -7.92 58.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.895 1.278 . . . . 6.0 114.104 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.42 -46.52 98.91 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-N 120.32 1.418 . . . . 6.0 112.871 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -62.62 -32.26 79.31 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.489 2.126 . . . . 6.0 112.134 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.0 mtt -65.08 -17.3 64.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.311 1.045 . . . . 6.0 113.714 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.25 -23.2 13.97 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.45 1.278 . . . . 6.0 114.45 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.26 -28.8 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 119.457 1.026 . . . . 6.0 111.835 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.69 -10.38 53.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.324 1.849 . . . . 6.0 113.94 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -45.33 -28.55 0.85 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 117.38 2.363 . . . . 6.0 117.38 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.4 37.53 1.88 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.661 1.184 . . . . 6.0 110.966 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.6 m -128.57 15.9 6.49 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 116.426 2.01 . . . . 6.0 116.426 -172.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.05 146.8 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.242 0.928 . . . . 6.0 112.777 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -111.3 85.56 2.15 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.646 1.979 . . . . 6.0 108.68 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -48.25 -36.89 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.162 1.385 . . . . 6.0 112.17 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -89.62 -19.89 24.36 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 116.276 1.954 . . . . 6.0 116.276 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -104.34 -18.07 14.57 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.67 1.359 . . . . 6.0 114.67 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.88 -43.01 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.427 1.091 . . . . 6.0 111.614 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 19.3 tpp -57.49 144.86 70.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 127.479 2.312 . . . . 6.0 114.447 -171.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -65.17 0.88 2.32 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.356 2.704 . . . . 6.0 114.432 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.343 5.5 p30 45.77 56.21 6.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.586 1.954 . . . . 6.0 114.289 175.269 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -155.92 -33.14 0.03 OUTLIER Glycine 0 CA--C 1.536 1.369 0 N-CA-C 116.507 1.363 . . . . 6.0 116.507 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -149.02 111.52 3.54 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-N 119.842 1.821 . . . . 6.0 114.238 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' B' ' 822' ' ' LEU . 65.9 Cg_endo -78.04 -85.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 125.083 3.856 . . . . 6.0 116.688 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . 0.456 ' H ' ' HG2' ' B' ' 821' ' ' PRO . 2.1 mm? -59.12 -14.78 11.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.782 2.033 . . . . 6.0 115.807 -172.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . 0.535 ' H ' ' CD2' ' B' ' 823' ' ' LEU . 1.2 mm? -67.76 -6.33 20.58 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 129.391 3.076 . . . . 6.0 113.307 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -41.51 -35.45 0.71 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.047 2.539 . . . . 6.0 114.955 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.01 3.73 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.311 1.434 . . . . 6.0 113.764 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -127.67 21.83 6.44 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.943 1.697 . . . . 6.0 112.726 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.78 6.06 6.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -176.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 14.1 t -159.5 -164.25 1.32 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.321 1.048 . . . . 6.0 112.245 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 23.5 t -37.1 140.83 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 129.749 3.22 . . . . 6.0 113.053 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -142.84 -177.55 5.38 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.752 2.501 . . . . 6.0 117.752 -169.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.18 -40.53 67.61 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.282 -1.511 . . . . 6.0 113.04 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.38 0.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 125.937 1.695 . . . . 6.0 113.462 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -17.66 10.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.029 2.532 . . . . 6.0 113.276 -174.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.52 11.46 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.14 1.376 . . . . 6.0 111.784 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 20.2 t -158.3 158.03 33.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.461 2.705 . . . . 6.0 110.019 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 148.42 64.37 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.343 1.057 . . . . 6.0 113.462 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.71 168.6 21.04 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.312 2.675 . . . . 6.0 112.511 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.475 0.787 0 C-N-CA 125.024 1.33 . . . . 6.0 112.645 179.192 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.747 1.018 . . . . 6.0 113.747 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 47.5 p -149.15 165.84 30.58 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.444 1.898 . . . . 6.0 111.58 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -170.42 146.76 10.06 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.157 1.361 . . . . 6.0 111.371 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.36 -21.27 61.28 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.339 2.693 . . . . 6.0 114.686 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.1 p -79.78 -9.28 59.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.878 1.271 . . . . 6.0 113.863 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -133.58 -34.99 1.01 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.184 1.179 . . . . 6.0 114.184 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 19.3 t0 14.51 88.55 0.05 OUTLIER Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 130.196 3.399 . . . . 6.0 115.027 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.94 -43.9 19.27 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 124.719 3.612 . . . . 6.0 115.935 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.3 -42.53 59.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.425 -0.797 . . . . 6.0 112.133 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -41.35 96.66 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.307 -0.871 . . . . 6.0 110.025 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -55.57 -45.25 77.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.839 1.656 . . . . 6.0 110.333 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -60.76 -40.88 94.17 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.185 0.994 . . . . 6.0 111.695 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.31 -49.59 76.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.249 1.203 . . . . 6.0 114.249 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.21 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.436 1.471 . . . . 6.0 110.735 175.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.46 -46.31 83.8 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.231 0.923 . . . . 6.0 112.169 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.99 -47.92 81.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.248 1.019 . . . . 6.0 111.754 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.36 -45.14 89.05 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.699 1.136 . . . . 6.0 111.254 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 61.8 tp -54.17 -48.13 71.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.99 0.916 . . . . 6.0 111.209 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.6 t -68.53 -38.6 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.727 0.64 . . . . 6.0 112.727 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.82 -40.89 94.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.265 0.939 . . . . 6.0 110.87 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.44 -47.12 83.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.299 0.64 . . . . 6.0 110.178 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.98 -40.23 72.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.802 0.841 . . . . 6.0 112.222 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -65.12 -57.54 8.34 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.478 0.581 . . . . 6.0 110.077 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.48 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.501 1.296 . . . . 6.0 114.501 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.05 -44.22 64.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.962 1.305 . . . . 6.0 112.31 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -90.05 -36.19 15.05 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.216 1.406 . . . . 6.0 111.64 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.72 -35.9 77.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.596 1.089 . . . . 6.0 112.511 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.02 -33.9 74.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.666 -1.271 . . . . 6.0 110.446 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -69.42 -39.21 78.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.358 1.463 . . . . 6.0 110.963 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -57.97 -47.14 83.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.719 0.808 . . . . 6.0 110.508 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.25 -48.52 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.476 0.71 . . . . 6.0 111.641 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.5 -38.1 66.07 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.904 1.282 . . . . 6.0 113.088 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.54 -9.97 59.22 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.406 1.632 . . . . 6.0 115.406 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -134.79 -37.81 0.81 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 115.74 1.756 . . . . 6.0 115.74 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 73.55 3.13 61.74 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.322 1.439 . . . . 6.0 116.458 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -146.8 22.37 1.26 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.235 1.518 . . . . 6.0 114.907 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.65 138.69 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.754 1.222 . . . . 6.0 113.4 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 39.56 2.08 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.674 2.39 . . . . 6.0 110.141 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -124.4 36.26 4.65 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.991 2.116 . . . . 6.0 113.395 -174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.8 t -140.56 153.47 46.14 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 6.0 111.648 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 18.4 m -147.51 5.51 0.81 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.402 1.481 . . . . 6.0 114.254 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.86 121.58 69.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 119.813 1.188 . . . . 6.0 111.592 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -45.41 -30.18 5.44 Favored 'Trans proline' 0 CA--C 1.54 0.789 1 C-N-CA 125.783 4.322 . . . . 6.0 118.283 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -131.21 22.39 4.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.597 1.159 . . . . 6.0 113.879 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.96 -49.55 65.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.72 0.808 . . . . 6.0 111.14 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -35.63 75.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.622 1.169 . . . . 6.0 112.916 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 34.8 m -64.46 -50.38 67.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.512 1.125 . . . . 6.0 109.38 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.2 mmt -64.27 -45.19 89.16 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.794 0.837 . . . . 6.0 111.814 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -56.66 -42.59 79.22 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.367 0.985 . . . . 6.0 111.862 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -66.27 -45.08 81.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.228 0.611 . . . . 6.0 111.407 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.5 -43.86 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.996 0.918 . . . . 6.0 111.268 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.79 -46.77 77.46 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.576 1.55 . . . . 6.0 112.454 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -60.46 -41.11 93.45 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.877 -0.514 . . . . 6.0 111.034 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -63.0 -53.93 46.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.039 0.936 . . . . 6.0 110.611 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.8 mtp -48.65 -40.07 26.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.987 2.115 . . . . 6.0 113.162 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 85.0 m -60.29 -24.01 64.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.976 1.31 . . . . 6.0 113.872 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -130.08 7.27 5.06 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.915 1.45 . . . . 6.0 114.915 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.45 156.7 9.93 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.828 1.251 . . . . 6.0 112.776 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -137.32 -11.9 1.63 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.079 1.352 . . . . 6.0 114.508 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -91.86 -18.47 23.74 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.557 0.947 . . . . 6.0 113.557 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 36.16 -105.81 0.03 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.073 2.273 . . . . 6.0 115.864 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -56.27 -13.68 2.31 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -125.32 10.42 8.0 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.603 1.961 . . . . 6.0 113.286 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.61 145.49 44.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.113 1.365 . . . . 6.0 113.675 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -77.36 -18.41 57.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.051 1.34 . . . . 6.0 112.686 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.1 t -80.47 105.57 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.166 0.986 . . . . 6.0 108.691 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.69 -29.02 36.95 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.007 1.484 . . . . 6.0 115.007 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.04 -24.56 21.15 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.899 1.444 . . . . 6.0 114.899 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.57 -69.25 0.13 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.792 1.637 . . . . 6.0 112.813 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.28 70.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.26 0.837 . . . . 6.0 113.26 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.0 m -66.42 -47.87 71.84 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.99 -0.444 . . . . 6.0 111.56 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -58.62 -48.19 81.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.127 1.371 . . . . 6.0 111.409 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -51.04 -38.0 48.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.959 1.304 . . . . 6.0 112.401 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -82.82 -40.75 19.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.916 0.886 . . . . 6.0 112.273 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -44.32 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.119 -0.988 . . . . 6.0 112.234 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.4 mt -56.39 -46.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.105 1.762 . . . . 6.0 111.415 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 65.6 m -57.18 -28.08 62.49 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.317 1.229 . . . . 6.0 114.317 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.21 -56.59 5.76 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.293 0.952 . . . . 6.0 111.051 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -58.78 -33.71 70.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.077 0.951 . . . . 6.0 112.004 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -60.55 -16.49 38.15 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.051 1.741 . . . . 6.0 114.639 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -130.95 -26.14 2.2 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.663 1.727 . . . . 6.0 115.663 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 38.0 t -70.25 131.19 43.82 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.792 1.178 . . . . 6.0 112.555 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 81.6 p -129.79 5.44 5.04 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.659 1.583 . . . . 6.0 114.301 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.69 164.29 10.05 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.82 1.248 . . . . 6.0 113.672 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -107.1 1.75 24.44 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.582 1.553 . . . . 6.0 112.069 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -140.82 9.95 2.19 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.348 1.61 . . . . 6.0 115.348 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.3 t -55.01 125.29 56.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.423 1.089 . . . . 6.0 109.594 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -43.09 60.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.006 2.47 . . . . 6.0 112.42 -177.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.7 t -83.09 -52.24 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 117.032 -1.461 . . . . 6.0 111.749 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.7 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 77.7 m -70.68 -27.09 63.76 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 121.49 1.95 . . . . 6.0 115.734 -176.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.7 tp -38.25 -55.21 2.47 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 121.796 2.089 . . . . 6.0 115.144 -176.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.17 -37.06 99.08 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 121.963 1.775 . . . . 6.0 113.598 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.75 -43.83 57.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.246 1.384 . . . . 6.0 111.753 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.7 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 21.7 mmtm -57.52 -35.96 70.94 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 6.0 109.134 176.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -75.12 -47.05 30.53 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.038 1.735 . . . . 6.0 111.072 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -54.39 -25.14 22.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.809 1.644 . . . . 6.0 113.141 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 63.0 p -119.91 13.55 12.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.851 1.66 . . . . 6.0 114.758 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -64.34 160.33 19.13 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.951 0.9 . . . . 6.0 112.25 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -145.37 44.37 1.31 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.411 1.485 . . . . 6.0 112.11 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.424 1.89 . . . . 6.0 111.907 -177.589 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 114.782 0.673 . . . . 6.0 114.782 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 50.1 m -130.68 5.61 4.68 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.885 1.674 . . . . 6.0 113.445 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -71.17 -14.6 62.33 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.265 1.426 . . . . 6.0 114.518 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 25.5 mmt -139.5 168.9 18.78 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.044 2.138 . . . . 6.0 110.454 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.6 146.76 56.91 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.478 1.111 . . . . 6.0 112.412 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.27 14.9 2.3 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.399 3.399 . . . . 6.0 114.329 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.69 110.7 61.37 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 127.243 2.217 . . . . 6.0 111.966 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -59.03 158.67 24.43 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.938 2.425 . . . . 6.0 112.7 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -65.44 105.37 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.787 1.235 . . . . 6.0 113.614 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.31 125.25 11.81 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.624 2.37 . . . . 6.0 111.077 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -47.1 129.34 15.17 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.494 2.796 . . . . 6.0 114.391 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -54.11 -32.1 54.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.066 1.346 . . . . 6.0 113.979 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -77.11 -28.72 54.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.476 1.11 . . . . 6.0 113.017 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.7 mt -90.24 -32.52 16.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.341 1.237 . . . . 6.0 114.341 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -56.36 -29.41 61.37 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.206 1.367 . . . . 6.0 113.495 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -79.86 -9.97 59.73 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.655 1.582 . . . . 6.0 114.426 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.38 138.41 58.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.79 1.177 . . . . 6.0 110.767 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -72.57 101.35 2.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.256 0.622 . . . . 6.0 110.538 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -7.45 57.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.072 1.349 . . . . 6.0 114.112 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.0 -47.93 95.87 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.586 1.539 . . . . 6.0 112.674 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.29 -33.58 89.4 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.456 2.104 . . . . 6.0 111.938 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 23.1 mtt -64.07 -17.4 63.35 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.585 0.957 . . . . 6.0 113.585 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -55.48 -22.93 23.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.991 1.269 . . . . 6.0 114.356 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.7 pt -62.5 -30.55 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 119.52 1.055 . . . . 6.0 111.324 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -84.65 -10.5 57.27 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.32 1.848 . . . . 6.0 114.138 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -48.08 -23.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 117.478 2.399 . . . . 6.0 117.478 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.63 33.12 1.63 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.48 1.512 . . . . 6.0 112.038 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.5 m -130.77 21.55 5.02 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.103 1.89 . . . . 6.0 116.103 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.39 154.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.991 0.814 . . . . 6.0 112.664 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -121.52 84.78 2.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.232 2.213 . . . . 6.0 109.29 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.79 -37.36 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.121 1.368 . . . . 6.0 112.527 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -90.95 -19.83 22.84 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.122 1.897 . . . . 6.0 116.122 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -104.79 -16.71 14.84 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.923 1.453 . . . . 6.0 114.923 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -43.96 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.218 1.007 . . . . 6.0 111.015 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 17.1 tpp -58.55 138.58 85.79 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.906 1.683 . . . . 6.0 113.631 -174.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.75 5.21 2.6 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.654 2.903 . . . . 6.0 113.783 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 50.81 45.09 27.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.257 2.223 . . . . 6.0 114.355 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -93.52 -71.66 1.16 Allowed Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.605 -0.685 . . . . 6.0 112.891 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.79 148.18 14.78 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.932 1.693 . . . . 6.0 111.216 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.64 -39.16 0.12 Allowed 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.038 1.826 . . . . 6.0 112.129 175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.57 -24.47 67.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.333 1.453 . . . . 6.0 112.748 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -19.61 12.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.825 2.85 . . . . 6.0 111.593 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.98 13.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.93 1.292 . . . . 6.0 113.193 173.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -55.63 -30.87 56.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.709 1.147 . . . . 6.0 113.835 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -113.69 10.88 18.02 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.853 2.061 . . . . 6.0 113.376 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -124.54 -168.94 1.89 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.589 1.155 . . . . 6.0 110.417 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . 0.275 9.4 t 58.02 -51.54 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 129.905 3.282 . . . . 6.0 117.714 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 34.7 m -156.55 172.35 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 127.076 2.15 . . . . 6.0 111.264 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -164.4 -158.03 0.4 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.542 1.137 . . . . 6.0 109.641 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -52.57 -34.52 50.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.147 -1.596 . . . . 6.0 112.911 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.7 6.68 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.739 1.616 . . . . 6.0 114.503 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -132.93 -23.95 1.95 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.22 1.808 . . . . 6.0 115.6 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 13.8 m -81.5 65.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.085 -1.009 . . . . 6.0 113.622 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 1.6 p 51.96 16.11 0.49 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 118.007 2.595 . . . . 6.0 118.007 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -61.64 149.75 83.56 Favored Pre-proline 0 N--CA 1.479 0.997 0 O-C-N 120.503 -1.373 . . . . 6.0 112.715 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.72 -17.15 33.43 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.065 2.51 . . . . 6.0 114.299 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.662 1.585 . . . . 6.0 112.685 179.819 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 113.536 0.939 . . . . 6.0 113.536 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.4 p -72.41 -17.49 61.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.443 1.497 . . . . 6.0 114.241 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.05 47.0 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.351 1.453 . . . . 6.0 112.729 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.41 -25.3 76.08 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.346 2.697 . . . . 6.0 112.964 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 28.1 p -68.21 -6.9 25.99 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.819 1.648 . . . . 6.0 113.39 174.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.39 27.45 1.73 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.527 1.931 . . . . 6.0 111.62 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.88 110.09 1.97 Allowed Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 123.8 0.84 . . . . 6.0 112.383 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.09 -31.22 74.17 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.043 3.162 . . . . 6.0 115.738 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.16 -42.77 20.36 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.465 -0.772 . . . . 6.0 111.332 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -59.27 -45.26 91.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.701 -0.624 . . . . 6.0 109.896 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -48.48 -44.64 35.97 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.366 1.467 . . . . 6.0 111.563 177.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -65.84 -44.21 86.2 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.785 0.72 . . . . 6.0 111.933 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 47.8 mt -56.19 -44.12 79.13 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.04 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 119.836 1.198 . . . . 6.0 111.039 173.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -57.21 -50.29 73.33 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.499 1.499 . . . . 6.0 112.804 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -59.64 -47.01 87.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.303 1.441 . . . . 6.0 111.858 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -64.66 -44.26 90.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.426 1.012 . . . . 6.0 111.27 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.66 -52.94 58.34 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.576 0.75 . . . . 6.0 110.596 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.98 -41.49 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 113.019 0.748 . . . . 6.0 113.019 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.82 -40.33 79.71 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.942 0.792 . . . . 6.0 111.527 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.22 -45.67 79.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.486 0.714 . . . . 6.0 111.288 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.54 -41.96 77.69 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.531 0.733 . . . . 6.0 111.06 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.9 -59.63 4.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.401 0.62 . . . . 6.0 109.961 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.4 66.65 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 117.492 2.405 . . . . 6.0 117.492 -174.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -64.19 -49.01 73.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.875 1.67 . . . . 6.0 111.996 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.47 63.22 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.384 -0.823 . . . . 6.0 111.715 174.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.38 -32.06 70.86 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.469 0.577 . . . . 6.0 110.768 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -61.63 -44.14 97.54 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.208 -1.557 . . . . 6.0 108.775 173.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -59.68 -45.87 90.78 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.174 0.99 . . . . 6.0 111.255 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -56.81 -52.01 66.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.982 1.713 . . . . 6.0 111.659 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.09 -44.83 96.76 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.907 1.683 . . . . 6.0 111.385 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -64.43 -45.25 88.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.42 1.488 . . . . 6.0 112.259 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.578 1.151 . . . . 6.0 113.461 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.49 -32.75 71.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.022 0.529 . . . . 6.0 112.244 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 59.7 14.53 29.66 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.532 1.539 . . . . 6.0 116.917 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -141.46 20.1 2.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.261 1.424 . . . . 6.0 112.135 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . 0.42 HG21 ' H ' ' A' ' 378' ' ' ALA . 7.7 p -150.19 150.67 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.998 1.719 . . . . 6.0 110.762 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -136.45 23.55 3.19 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.293 1.837 . . . . 6.0 112.617 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . 0.42 ' H ' HG21 ' A' ' 376' ' ' VAL . . . -148.46 176.14 10.55 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.333 1.453 . . . . 6.0 114.313 -176.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 9.8 t -146.56 -168.98 3.16 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.315 2.246 . . . . 6.0 111.016 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.7 m -105.62 -17.06 14.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.623 1.969 . . . . 6.0 112.947 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 127.66 92.83 Favored Pre-proline 0 CA--C 1.554 1.116 0 CA-C-N 119.148 0.886 . . . . 6.0 109.289 176.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.01 -28.47 7.27 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 125.11 3.873 . . . . 6.0 117.663 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -131.4 23.29 4.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.812 1.245 . . . . 6.0 113.556 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.0 -49.34 66.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 6.0 111.183 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.92 74.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.326 1.051 . . . . 6.0 113.168 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.1 m -64.95 -51.0 64.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.463 1.105 . . . . 6.0 109.242 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.13 -44.01 93.53 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.976 0.91 . . . . 6.0 112.143 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -57.28 -43.08 82.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.98 0.912 . . . . 6.0 111.298 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -65.97 -42.37 89.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.292 0.637 . . . . 6.0 112.138 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.96 -46.51 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.038 0.935 . . . . 6.0 110.923 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.08 -45.07 86.78 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.646 1.179 . . . . 6.0 111.459 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.01 -43.0 81.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.944 -0.473 . . . . 6.0 110.833 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -61.22 -54.77 39.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.276 0.63 . . . . 6.0 109.984 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 80.3 mtp -52.25 -38.76 59.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.409 . . . . 6.0 113.467 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 31.1 m -65.8 -10.75 40.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.288 1.435 . . . . 6.0 113.593 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -128.77 -14.16 4.58 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.096 1.358 . . . . 6.0 113.227 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.84 131.74 44.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.09 1.756 . . . . 6.0 110.78 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -104.13 -2.1 26.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.701 1.2 . . . . 6.0 113.992 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.14 -7.68 56.22 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.26 -141.02 38.56 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.388 0.994 . . . . 6.0 113.987 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.42 17.02 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.743 1.617 . . . . 6.0 114.5 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -131.56 9.45 4.67 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.975 1.71 . . . . 6.0 114.061 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.51 154.54 13.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.294 1.038 . . . . 6.0 113.309 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -78.91 -20.31 49.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.346 1.458 . . . . 6.0 112.646 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t -75.12 118.76 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.474 1.034 . . . . 6.0 108.367 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.0 59.4 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.981 1.845 . . . . 6.0 115.981 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.31 -27.91 38.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 12.0 t -55.96 -70.23 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.407 1.483 . . . . 6.0 113.958 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.85 74.48 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.746 -0.596 . . . . 6.0 112.156 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -62.09 -50.22 72.81 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.23 0.612 . . . . 6.0 110.899 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.9 m -59.6 -45.46 91.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.025 1.73 . . . . 6.0 112.187 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -32.57 66.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.735 1.214 . . . . 6.0 112.313 177.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.47 -47.16 12.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.542 1.137 . . . . 6.0 111.629 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -57.33 -43.69 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.182 1.393 . . . . 6.0 114.455 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.32 -49.55 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 6.0 111.057 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.2 t -61.0 -30.71 70.45 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.633 1.345 . . . . 6.0 114.633 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -57.81 -57.84 10.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.994 1.27 . . . . 6.0 110.989 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . 0.472 ' HE1' ' CB ' ' B' ' 824' ' ' ALA . 4.8 t-105 -56.9 -37.01 70.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.139 0.975 . . . . 6.0 113.305 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -69.69 -9.85 55.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.523 1.305 . . . . 6.0 114.523 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -126.83 -24.61 3.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.506 1.669 . . . . 6.0 115.506 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.81 108.35 2.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.796 1.238 . . . . 6.0 112.259 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.4 p -82.74 -11.64 58.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.935 1.294 . . . . 6.0 113.821 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.413 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 80.8 mtm180 -65.24 122.85 18.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.346 1.459 . . . . 6.0 113.047 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -75.96 -2.35 30.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.043 0.537 . . . . 6.0 112.193 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.57 17.51 5.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.488 1.515 . . . . 6.0 114.749 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . 0.413 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 19.2 t -55.73 134.19 72.23 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.049 0.94 . . . . 6.0 109.494 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.14 -23.75 77.84 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.481 2.12 . . . . 6.0 112.214 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.7 t -101.61 -51.28 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 117.236 -1.364 . . . . 6.0 111.359 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.631 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 66.5 m -69.07 -27.14 65.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 121.196 1.816 . . . . 6.0 115.386 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -38.39 -56.74 2.06 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 120.569 1.531 . . . . 6.0 114.485 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.76 -40.34 73.67 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.086 1.857 . . . . 6.0 113.649 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.94 -36.29 81.89 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.353 1.433 . . . . 6.0 110.97 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.631 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 52.3 mttt -66.6 -38.49 87.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.8 1.24 . . . . 6.0 109.017 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -67.58 -31.11 70.95 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.331 1.052 . . . . 6.0 111.733 170.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.59 63.18 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.422 1.489 . . . . 6.0 112.576 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.02 10.28 3.05 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.398 1.999 . . . . 6.0 116.398 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -153.6 156.98 38.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.756 1.622 . . . . 6.0 109.965 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 49.21 37.4 11.06 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.143 1.777 . . . . 6.0 113.582 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 126.612 1.965 . . . . 6.0 111.456 -177.192 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 N-CA-C 114.846 0.698 . . . . 6.0 114.846 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 40.5 p -61.4 144.49 53.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.806 1.243 . . . . 6.0 112.953 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -142.01 159.26 42.59 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.282 1.833 . . . . 6.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 64.0 mtt -143.43 158.72 43.42 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.12 1.368 . . . . 6.0 111.967 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.7 m -144.15 158.47 55.11 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 126.738 2.015 . . . . 6.0 110.17 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 134.66 61.2 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.002 2.468 . . . . 6.0 113.437 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -75.3 127.79 85.68 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.981 1.312 . . . . 6.0 111.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -57.2 158.73 17.29 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.366 2.711 . . . . 6.0 112.22 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.62 107.28 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.62 1.168 . . . . 6.0 113.053 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.1 124.66 22.14 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.106 2.162 . . . . 6.0 110.892 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.26 126.48 17.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.794 2.996 . . . . 6.0 113.954 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -47.31 -44.62 23.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.775 1.63 . . . . 6.0 113.847 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -65.33 -25.74 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.677 1.191 . . . . 6.0 113.188 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.7 mt -90.13 -28.63 18.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.283 1.033 . . . . 6.0 112.092 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -60.31 -32.65 71.42 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.199 1.363 . . . . 6.0 111.055 174.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -64.24 -23.46 67.32 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.531 1.532 . . . . 6.0 113.24 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.02 125.95 28.27 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.277 -0.889 . . . . 6.0 110.453 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -71.48 117.2 12.73 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.642 -1.244 . . . . 6.0 107.642 173.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -90.08 -3.69 57.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.918 1.687 . . . . 6.0 114.934 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -44.2 98.67 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 120.131 1.332 . . . . 6.0 112.938 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.71 -37.75 65.9 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.145 1.897 . . . . 6.0 111.587 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -17.83 63.36 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -51.47 -24.24 4.85 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.262 1.392 . . . . 6.0 114.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.6 pt -67.12 -26.15 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.63 0.772 . . . . 6.0 112.892 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -88.23 -9.9 51.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.814 2.045 . . . . 6.0 114.887 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -51.18 -21.59 2.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 117.957 2.577 . . . . 6.0 117.957 -172.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -140.72 30.53 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 6.0 113.232 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.8 18.75 5.11 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.616 1.71 . . . . 6.0 115.616 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.96 148.2 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 O-C-N 121.069 -1.019 . . . . 6.0 113.023 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -117.86 83.63 2.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.73 2.012 . . . . 6.0 107.844 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -43.92 -43.43 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.289 1.836 . . . . 6.0 112.8 -173.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -85.08 -19.73 31.47 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.966 1.839 . . . . 6.0 115.966 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -99.38 -18.3 17.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.162 1.542 . . . . 6.0 115.162 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -41.39 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.833 1.253 . . . . 6.0 110.724 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 11.5 tpp -67.16 137.12 94.12 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 125.228 1.411 . . . . 6.0 111.818 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.34 -3.39 13.28 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 123.683 2.922 . . . . 6.0 113.753 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 42.8 t30 58.21 101.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.848 2.859 . . . . 6.0 115.959 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -167.46 -40.96 0.02 OUTLIER Glycine 0 CA--C 1.535 1.311 0 N-CA-C 115.303 0.881 . . . . 6.0 115.303 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -163.97 144.37 6.68 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.387 1.475 . . . . 6.0 110.94 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.01 -35.48 8.92 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 121.321 1.348 . . . . 6.0 111.63 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.42 -12.97 57.4 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.926 -1.109 . . . . 6.0 112.683 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -11.2 44.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.558 2.343 . . . . 6.0 111.144 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . 0.472 ' CB ' ' HE1' ' A' ' 418' ' ' TRP . . . 21.94 60.92 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 118.285 2.698 . . . . 6.0 118.285 173.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . 74.03 -15.61 3.12 Favored Glycine 0 CA--C 1.542 1.748 0 O-C-N 120.394 -1.441 . . . . 6.0 116.444 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 155.18 -19.66 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.832 1 C-N-CA 134.179 4.992 . . . . 6.0 110.624 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . 0.254 35.1 t-20 51.55 41.67 28.84 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.293 2.237 . . . . 6.0 112.908 -175.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 4.4 t -69.89 -34.83 74.06 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.452 2.301 . . . . 6.0 111.726 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 8.8 m -72.61 62.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 127.074 2.15 . . . . 6.0 111.887 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -142.89 -41.98 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.967 2.21 . . . . 6.0 116.967 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -136.57 24.87 3.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.009 . . . . 6.0 111.874 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 2.0 p -146.11 -48.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.868 1.267 . . . . 6.0 112.559 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -18.28 63.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.854 1.057 . . . . 6.0 113.854 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 12.8 m -71.14 68.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 127.453 2.301 . . . . 6.0 115.005 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 3.3 m 63.99 -7.69 0.2 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 117.423 2.379 . . . . 6.0 117.423 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -157.67 124.47 2.59 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 125.424 1.49 . . . . 6.0 110.249 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.4 162.76 41.3 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.856 2.371 . . . . 6.0 112.879 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.712 0 C-N-CA 125.013 1.325 . . . . 6.0 112.158 179.083 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 112.497 0.554 . . . . 6.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 29.5 p -69.25 -16.82 63.67 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.04 1.336 . . . . 6.0 113.884 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -172.39 61.42 0.15 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.796 1.189 . . . . 6.0 113.824 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -61.21 -18.52 58.94 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.557 2.838 . . . . 6.0 114.109 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 15.0 p -78.93 -11.4 60.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.718 1.607 . . . . 6.0 113.12 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -125.18 -25.0 3.89 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.866 1.266 . . . . 6.0 114.03 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 48.6 t0 20.47 78.77 0.17 Allowed Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 129.316 3.046 . . . . 6.0 114.311 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.56 -43.74 14.05 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 125.004 3.803 . . . . 6.0 116.452 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.82 -42.9 94.62 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.526 -0.734 . . . . 6.0 111.671 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -37.39 73.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.207 1.403 . . . . 6.0 112.388 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.4 ' NH1' HE22 ' A' ' 354' ' ' GLN . 2.8 tmm_? -52.41 -43.24 64.69 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.23 1.412 . . . . 6.0 112.659 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -69.95 -35.54 74.58 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.589 0.631 . . . . 6.0 112.603 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.65 -45.22 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.468 1.284 . . . . 6.0 114.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -41.6 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 120.439 1.472 . . . . 6.0 110.49 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.4 HE22 ' NH1' ' A' ' 350' ' ' ARG . 98.2 mt-30 -55.95 -44.55 78.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.288 0.949 . . . . 6.0 112.918 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.62 -47.51 72.42 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.222 -0.894 . . . . 6.0 112.121 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -63.34 -43.6 97.25 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.35 1.432 . . . . 6.0 110.765 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 45.5 tp -53.85 -54.94 31.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.803 0.841 . . . . 6.0 111.205 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.29 -40.21 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 112.569 0.581 . . . . 6.0 112.569 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.83 -41.18 86.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.395 0.543 . . . . 6.0 111.91 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.05 -46.8 76.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.825 . . . . 6.0 111.401 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 77.1 mt -57.16 -40.72 77.8 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.004 0.921 . . . . 6.0 110.741 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -65.09 -60.99 2.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.331 0.653 . . . . 6.0 110.835 174.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -50.35 -36.67 33.34 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.889 1.676 . . . . 6.0 114.708 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -65.93 -52.61 48.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.755 1.162 . . . . 6.0 111.375 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -60.77 -32.21 71.54 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.14 -0.975 . . . . 6.0 111.746 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . 0.443 ' CB ' ' HZ1' ' A' ' 388' ' ' LYS . 4.4 t -72.83 -41.43 64.86 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.125 1.37 . . . . 6.0 110.583 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.64 -36.29 80.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.163 -1.586 . . . . 6.0 110.688 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -56.14 -16.04 4.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.852 1.056 . . . . 6.0 113.852 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.52 -25.91 64.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.286 1.403 . . . . 6.0 111.415 174.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.61 -26.12 66.94 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.785 -1.197 . . . . 6.0 112.449 175.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -90.08 -38.66 13.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.31 1.044 . . . . 6.0 110.788 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.44 -19.09 56.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.817 1.414 . . . . 6.0 114.817 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -139.26 -51.62 0.53 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.176 1.391 . . . . 6.0 113.511 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 94.55 -11.19 70.4 Favored Glycine 0 N--CA 1.476 1.343 0 N-CA-C 116.309 1.284 . . . . 6.0 116.309 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -123.97 17.71 9.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.332 1.453 . . . . 6.0 112.919 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 99.3 t -135.81 133.34 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.565 1.546 . . . . 6.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -121.26 -31.55 4.08 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.566 1.546 . . . . 6.0 113.976 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -158.88 164.02 36.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.576 1.08 . . . . 6.0 112.932 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 p -104.29 -89.17 0.41 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.253 2.221 . . . . 6.0 113.501 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 92.8 p -158.03 -1.72 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.985 1.846 . . . . 6.0 115.985 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 126.75 70.65 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-N 120.353 1.433 . . . . 6.0 109.477 177.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -41.31 -31.37 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 125.442 4.095 . . . . 6.0 118.322 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -128.61 21.15 6.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.084 1.354 . . . . 6.0 113.679 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.58 -49.59 64.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 6.0 109.628 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -64.78 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.955 1.302 . . . . 6.0 113.288 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.4 m -60.53 -50.28 74.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.151 0.98 . . . . 6.0 109.196 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -45.57 82.66 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.322 1.049 . . . . 6.0 111.079 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . 0.443 ' HZ1' ' CB ' ' A' ' 366' ' ' CYS . 77.7 mttt -57.22 -40.81 78.28 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.968 1.258 . . . . 6.0 112.573 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -62.67 -44.18 96.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.274 0.629 . . . . 6.0 111.276 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.47 -41.09 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.421 1.089 . . . . 6.0 111.452 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.24 -49.45 67.17 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.39 1.876 . . . . 6.0 112.296 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.45 -41.11 88.9 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.774 -0.579 . . . . 6.0 110.517 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -60.23 -54.2 48.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.524 0.729 . . . . 6.0 110.395 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.7 mtp -51.55 -38.85 56.23 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.122 1.769 . . . . 6.0 113.318 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 15.8 m -64.36 -14.03 54.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.584 1.154 . . . . 6.0 113.14 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -123.33 -21.16 5.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.337 1.455 . . . . 6.0 113.375 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.27 150.21 46.49 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.559 1.544 . . . . 6.0 111.406 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -134.99 7.91 3.46 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.356 1.463 . . . . 6.0 113.263 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.57 2.42 16.55 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.738 1.384 . . . . 6.0 114.738 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 50.46 -128.57 28.1 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.308 1.432 . . . . 6.0 114.093 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.64 4.9 6.84 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.765 1.626 . . . . 6.0 115.266 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.37 7.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.352 1.612 . . . . 6.0 115.352 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.38 149.48 29.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.736 1.013 . . . . 6.0 113.736 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.98 -21.15 60.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.797 1.239 . . . . 6.0 112.725 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.95 110.84 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.668 -1.234 . . . . 6.0 107.668 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.62 -43.54 36.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.319 1.6 . . . . 6.0 115.319 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -80.99 -26.84 36.22 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 117.586 -1.197 . . . . 6.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 32.8 t -59.39 -66.97 0.42 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.518 1.527 . . . . 6.0 113.881 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.01 72.26 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.618 -0.677 . . . . 6.0 112.202 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 31.7 m -65.22 -46.95 78.56 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.796 0.438 . . . . 6.0 110.551 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.3 m -58.78 -46.48 87.42 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.355 . . . . 6.0 112.394 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -51.67 -43.5 62.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.182 0.993 . . . . 6.0 111.972 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -75.52 -46.86 29.73 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.814 0.846 . . . . 6.0 111.951 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -55.95 -46.91 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.613 1.165 . . . . 6.0 113.101 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.87 -54.04 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.979 1.311 . . . . 6.0 110.041 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.9 m -57.2 -26.49 60.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.199 1.185 . . . . 6.0 114.199 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -64.13 -64.8 0.79 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.107 0.867 . . . . 6.0 109.846 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -56.67 -38.59 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.889 1.276 . . . . 6.0 113.768 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -65.75 -10.05 33.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -129.97 -21.49 3.0 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.477 1.658 . . . . 6.0 115.477 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 36.6 t -64.34 109.78 2.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.855 1.262 . . . . 6.0 113.536 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 37.8 p -87.12 -10.83 51.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.1 1.36 . . . . 6.0 113.348 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.418 ' NH1' ' SG ' ' A' ' 421' ' ' CYS . 10.0 mtp-105 -65.63 105.23 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.724 1.61 . . . . 6.0 112.082 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -66.42 -6.93 16.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.366 1.067 . . . . 6.0 113.228 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.65 10.46 9.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.017 1.727 . . . . 6.0 113.971 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.7 t -54.28 130.94 61.27 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.236 1.014 . . . . 6.0 109.357 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.68 -46.45 26.83 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.619 2.213 . . . . 6.0 110.919 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.23 -53.86 17.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 117.669 -1.158 . . . . 6.0 111.419 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.661 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 63.3 m -68.94 -29.42 67.66 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 115.973 1.842 . . . . 6.0 115.973 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.6 tp -42.09 -54.0 7.87 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 120.933 1.697 . . . . 6.0 115.461 -174.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.79 -37.03 98.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 122.153 1.805 . . . . 6.0 112.917 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.7 -41.42 65.29 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.953 1.251 . . . . 6.0 111.617 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.661 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 48.3 mttt -63.16 -23.72 67.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.161 1.384 . . . . 6.0 110.755 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -84.8 -47.6 10.22 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.754 1.622 . . . . 6.0 109.828 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.86 65.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.942 2.097 . . . . 6.0 113.1 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 61.8 p -81.72 0.41 39.03 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.429 1.492 . . . . 6.0 113.756 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -137.89 35.25 2.39 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.127 1.371 . . . . 6.0 113.151 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -69.5 24.85 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.983 1.713 . . . . 6.0 114.076 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.28 2.232 . . . . 6.0 112.465 179.659 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.492 0 N-CA-C 114.769 0.667 . . . . 6.0 114.769 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 13.0 t -62.49 -28.63 69.97 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.08 1.352 . . . . 6.0 113.481 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -150.18 163.34 38.48 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.052 1.741 . . . . 6.0 110.906 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -63.81 157.39 24.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.046 0.938 . . . . 6.0 113.052 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.78 147.35 98.13 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 123.759 0.824 . . . . 6.0 111.898 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.08 156.95 47.05 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 122.864 2.376 . . . . 6.0 112.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -148.82 109.09 3.51 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 126.372 1.869 . . . . 6.0 107.913 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -57.13 157.18 21.84 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.946 2.431 . . . . 6.0 113.571 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -61.6 109.17 1.12 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.395 1.478 . . . . 6.0 112.497 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.57 129.87 70.38 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 126.571 1.948 . . . . 6.0 111.758 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -55.68 121.1 9.36 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.583 2.189 . . . . 6.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -27.01 66.66 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.137 1.532 . . . . 6.0 115.137 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -67.09 -25.9 66.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.532 1.06 . . . . 6.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.8 mt -90.36 -27.07 19.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.816 1.247 . . . . 6.0 112.414 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.34 -36.73 73.85 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 120.167 1.349 . . . . 6.0 110.863 174.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.21 -16.85 63.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.236 1.414 . . . . 6.0 114.403 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.04 124.7 24.12 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.978 1.263 . . . . 6.0 109.2 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -68.12 109.88 3.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.751 -0.833 . . . . 6.0 108.751 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -4.36 58.87 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 115.332 1.604 . . . . 6.0 115.332 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.88 -45.89 99.83 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 120.333 1.424 . . . . 6.0 113.076 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -35.4 80.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.996 1.798 . . . . 6.0 112.487 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -18.21 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.383 1.073 . . . . 6.0 113.582 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -52.21 -24.23 6.87 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.075 1.307 . . . . 6.0 114.14 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.2 pt -67.15 -25.62 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 118.822 0.737 . . . . 6.0 112.472 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -89.28 -10.25 47.57 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 6.0 114.179 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -47.34 -27.3 1.55 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.914 2.19 . . . . 6.0 116.914 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.32 32.03 2.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 6.0 112.42 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -127.72 19.01 6.73 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 -174.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -145.02 153.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.29 1.036 . . . . 6.0 112.207 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -124.5 87.79 2.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.89 2.076 . . . . 6.0 108.287 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -45.89 -40.54 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.034 1.734 . . . . 6.0 113.067 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -87.62 -19.96 27.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.225 1.935 . . . . 6.0 116.225 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -91.79 -24.95 19.25 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -45.12 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.859 1.264 . . . . 6.0 112.471 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.5 tpp -65.26 137.87 96.97 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.454 1.101 . . . . 6.0 113.71 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -76.21 17.98 0.7 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 124.354 3.369 . . . . 6.0 114.132 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.298 0.8 OUTLIER 47.21 35.27 3.57 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.784 2.433 . . . . 6.0 117.049 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -75.07 -77.95 0.66 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.627 0.632 . . . . 6.0 111.956 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -173.26 150.72 1.93 Allowed Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 126.592 1.957 . . . . 6.0 110.927 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -63.97 -39.79 30.73 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.095 1.863 . . . . 6.0 113.08 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.37 -36.73 81.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.277 1.031 . . . . 6.0 111.421 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -36.52 81.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.797 2.039 . . . . 6.0 110.123 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.62 -18.91 34.29 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.51 -30.74 59.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.576 1.084 . . . . 6.0 113.262 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -125.87 -15.59 5.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.111 1.365 . . . . 6.0 114.0 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -62.11 -27.04 68.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.074 0.95 . . . . 6.0 113.515 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 10.0 t -152.97 164.47 37.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.737 1.215 . . . . 6.0 113.088 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 5.7 m 33.71 74.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.476 2.71 . . . . 6.0 114.751 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.48 163.32 11.14 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.864 1.802 . . . . 6.0 115.864 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.6 -33.18 65.99 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.744 -1.222 . . . . 6.0 113.406 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.6 -29.84 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.762 0.825 . . . . 6.0 111.129 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -63.67 -31.86 73.17 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.048 1.739 . . . . 6.0 111.431 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 11.1 m -109.1 20.13 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 126.015 1.726 . . . . 6.0 111.985 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 86.6 p 37.12 47.82 0.68 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 130.027 3.331 . . . . 6.0 118.237 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -60.05 146.55 82.41 Favored Pre-proline 0 N--CA 1.481 1.086 0 O-C-N 120.887 -1.133 . . . . 6.0 112.408 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.16 -16.1 22.66 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.393 2.729 . . . . 6.0 113.748 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 125.68 1.592 . . . . 6.0 113.769 179.068 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 112.654 0.613 . . . . 6.0 112.654 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 4.8 p -81.85 -0.19 42.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.345 1.458 . . . . 6.0 113.273 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.34 163.43 34.13 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 127.244 2.355 . . . . 6.0 111.07 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.14 -22.91 53.6 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.302 2.668 . . . . 6.0 113.335 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.5 p -77.8 -4.5 46.82 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.023 1.729 . . . . 6.0 113.474 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -131.56 148.99 52.67 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.978 1.263 . . . . 6.0 113.54 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -157.93 106.49 1.75 Allowed Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.111 1.364 . . . . 6.0 109.982 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.28 -44.54 42.47 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.213 3.275 . . . . 6.0 116.284 -176.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -71.09 -48.63 51.34 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.307 -0.87 . . . . 6.0 112.13 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -40.77 96.87 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.789 -0.57 . . . . 6.0 110.019 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.53 -46.1 77.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.547 1.539 . . . . 6.0 111.395 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.76 -42.89 99.56 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.167 0.894 . . . . 6.0 111.631 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.69 -49.03 74.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.881 1.067 . . . . 6.0 113.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -41.5 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 120.607 1.549 . . . . 6.0 111.526 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.69 -45.53 81.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.99 1.268 . . . . 6.0 112.403 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.72 -48.07 78.55 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.501 1.12 . . . . 6.0 111.676 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.78 -43.74 95.45 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.275 1.398 . . . . 6.0 110.789 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.21 -54.17 43.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.897 0.879 . . . . 6.0 110.747 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.49 -38.17 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.256 0.836 . . . . 6.0 113.256 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.88 -39.41 85.21 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.066 0.848 . . . . 6.0 110.874 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.1 -45.57 84.65 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.598 0.636 . . . . 6.0 110.439 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.06 -42.65 76.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.182 0.593 . . . . 6.0 111.603 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -63.63 -59.65 4.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.031 0.443 . . . . 6.0 110.345 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.43 65.68 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.586 1.328 . . . . 6.0 114.586 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -55.81 -48.02 76.16 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.439 1.018 . . . . 6.0 111.442 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -80.53 -36.86 32.55 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.535 0.734 . . . . 6.0 111.594 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.33 -34.81 75.88 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.448 1.022 . . . . 6.0 111.863 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -61.58 -38.74 88.65 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.861 -1.149 . . . . 6.0 110.094 173.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -66.96 -39.59 87.28 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.187 0.995 . . . . 6.0 111.225 173.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -57.36 -45.62 84.19 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.1 0.863 . . . . 6.0 111.048 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.53 -47.29 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.062 0.545 . . . . 6.0 112.058 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -58.27 -29.07 65.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.348 0.976 . . . . 6.0 113.632 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -69.71 -10.98 60.45 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.677 1.362 . . . . 6.0 114.677 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -141.66 -23.2 0.72 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.284 1.587 . . . . 6.0 115.284 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 103.32 -22.98 34.58 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.635 2.064 . . . . 6.0 113.015 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -162.05 163.43 28.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.49 2.316 . . . . 6.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.6 p -151.65 162.15 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.26 1.024 . . . . 6.0 111.859 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.59 40.82 2.21 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.345 1.858 . . . . 6.0 111.32 177.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -132.18 32.81 3.95 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.162 1.785 . . . . 6.0 113.011 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.65 165.15 28.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.922 1.289 . . . . 6.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 87.4 p -161.56 2.62 0.06 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.755 1.622 . . . . 6.0 115.279 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.34 122.43 63.82 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-N 119.983 1.265 . . . . 6.0 112.122 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -46.04 -29.81 6.65 Favored 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.72 4.28 . . . . 6.0 117.733 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.06 19.92 6.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.052 1.341 . . . . 6.0 113.82 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.13 -51.92 60.4 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.633 0.652 . . . . 6.0 110.733 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.74 72.88 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.826 1.046 . . . . 6.0 113.826 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 28.0 m -65.27 -50.09 67.07 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.036 1.335 . . . . 6.0 108.96 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.65 -45.99 77.18 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.176 0.99 . . . . 6.0 111.989 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -54.08 -40.86 67.6 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.951 1.251 . . . . 6.0 112.056 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.73 -47.47 80.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.675 0.79 . . . . 6.0 111.683 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.24 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.848 1.259 . . . . 6.0 111.845 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 51.6 mt -67.08 -49.35 65.36 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.04 1.736 . . . . 6.0 111.501 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -57.88 -42.83 85.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.874 -0.516 . . . . 6.0 110.72 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -59.74 -53.82 53.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.803 0.841 . . . . 6.0 110.553 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -36.06 58.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.088 1.755 . . . . 6.0 113.882 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 16.8 m -65.61 -12.0 49.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 6.0 112.955 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.21 -23.38 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.184 1.394 . . . . 6.0 113.435 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.82 140.82 58.91 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.312 1.445 . . . . 6.0 112.468 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -120.93 2.23 10.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.449 1.5 . . . . 6.0 113.589 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -75.65 -12.45 60.21 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 57.01 -143.28 40.79 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.522 1.058 . . . . 6.0 114.081 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -68.29 30.8 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.733 2.013 . . . . 6.0 114.361 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -145.86 4.61 0.99 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.57 1.948 . . . . 6.0 113.743 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 34.3 t -58.2 153.09 15.72 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.881 1.272 . . . . 6.0 113.812 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -68.88 -25.78 64.78 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.233 1.413 . . . . 6.0 112.121 176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.46 112.83 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.522 -0.918 . . . . 6.0 108.522 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.57 45.32 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.215 1.561 . . . . 6.0 115.215 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -85.75 -19.24 31.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.216 1.191 . . . . 6.0 114.216 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 9.6 t -66.45 -63.49 1.06 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.22 1.373 . . . . 6.0 110.453 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.44 66.7 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 8.4 p -70.01 -52.93 20.2 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.083 0.402 . . . . 6.0 110.923 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.8 m -51.47 -45.92 62.93 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.143 0.977 . . . . 6.0 112.529 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -49.7 -39.26 36.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.175 1.79 . . . . 6.0 112.541 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -90.01 -40.37 12.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.893 1.277 . . . . 6.0 112.39 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -56.83 -42.33 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.252 1.021 . . . . 6.0 111.838 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.93 -54.23 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.073 1.349 . . . . 6.0 109.67 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.3 m -50.45 -24.99 3.47 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.974 1.472 . . . . 6.0 114.974 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -73.16 -57.91 3.68 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.494 1.043 . . . . 6.0 111.229 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -58.11 -32.34 68.0 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.882 0.873 . . . . 6.0 112.14 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.75 -9.9 53.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.885 1.674 . . . . 6.0 113.798 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.34 -27.99 1.72 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.054 1.872 . . . . 6.0 116.054 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 6.3 t -65.44 168.47 7.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.835 1.303 . . . . 6.0 113.404 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.0 t -163.05 -24.78 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.438 1.895 . . . . 6.0 112.988 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -47.46 116.25 1.38 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.646 1.978 . . . . 6.0 112.141 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -66.21 -7.95 21.42 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.46 15.24 7.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.93 1.292 . . . . 6.0 113.155 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.29 125.82 59.81 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.033 -1.469 . . . . 6.0 107.033 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.72 -41.79 36.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.092 1.861 . . . . 6.0 111.66 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.92 -52.26 18.35 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 124.277 1.031 . . . . 6.0 111.147 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.661 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 71.8 m -69.85 -28.93 66.08 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 115.444 1.646 . . . . 6.0 115.444 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.4 tp -41.61 -53.94 7.02 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 121.164 1.802 . . . . 6.0 115.183 -174.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.81 -35.09 98.96 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 122.068 1.774 . . . . 6.0 113.485 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.47 -43.65 63.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.502 1.501 . . . . 6.0 110.647 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.661 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 46.5 mttt -61.42 -18.77 60.36 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.883 1.673 . . . . 6.0 111.072 175.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -90.14 -45.3 9.21 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.654 1.982 . . . . 6.0 110.623 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -53.75 -32.88 53.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.461 2.304 . . . . 6.0 113.49 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 p -136.43 152.19 50.32 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.735 1.614 . . . . 6.0 111.85 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -146.83 168.18 22.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.78 1.232 . . . . 6.0 110.883 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -130.37 -5.56 4.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.752 1.621 . . . . 6.0 113.54 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 127.516 2.327 . . . . 6.0 113.832 178.156 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 N-CA-C 114.785 0.674 . . . . 6.0 114.785 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 37.4 m 52.33 33.78 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.374 1.87 . . . . 6.0 114.308 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -62.07 159.96 13.49 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.251 1.42 . . . . 6.0 113.465 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 28.2 ptm -149.34 167.68 25.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.428 1.491 . . . . 6.0 111.906 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.35 153.67 66.33 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.85 1.66 . . . . 6.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.69 174.63 11.45 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.181 2.587 . . . . 6.0 112.062 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -110.2 109.4 58.74 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.67 1.188 . . . . 6.0 109.716 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.65 158.33 16.66 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 122.715 2.276 . . . . 6.0 113.152 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.46 108.89 1.21 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.234 1.813 . . . . 6.0 113.819 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.65 123.84 69.49 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.958 1.703 . . . . 6.0 110.827 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -51.88 125.85 18.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.001 2.467 . . . . 6.0 113.035 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.31 -40.01 61.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.541 1.137 . . . . 6.0 113.984 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.97 -27.54 69.47 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.113 0.965 . . . . 6.0 112.624 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.1 mt -90.24 -29.25 18.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.57 1.148 . . . . 6.0 112.601 172.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -58.11 -36.94 73.62 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.113 1.324 . . . . 6.0 110.093 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -61.51 -28.73 69.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.208 1.803 . . . . 6.0 113.701 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.99 129.09 38.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.122 0.874 . . . . 6.0 111.393 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -70.52 109.43 4.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.177 -0.675 . . . . 6.0 109.177 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.1 -6.67 58.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.637 1.347 . . . . 6.0 114.637 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.14 -47.52 98.93 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 120.481 1.491 . . . . 6.0 113.782 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.94 -30.73 77.18 Favored 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 121.49 1.568 . . . . 6.0 112.253 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.5 mtt -67.23 -16.9 64.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.977 1.311 . . . . 6.0 113.738 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -52.11 -23.3 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 18.4 pt -66.53 -28.74 44.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.443 0.697 . . . . 6.0 112.459 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.92 -11.38 53.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.082 1.753 . . . . 6.0 114.595 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -49.27 -23.72 1.5 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 117.548 2.425 . . . . 6.0 117.548 -173.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -140.63 34.38 1.82 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.09 1.356 . . . . 6.0 111.52 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.7 m -131.29 19.69 4.84 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.373 1.62 . . . . 6.0 115.373 -173.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.82 154.86 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.134 0.974 . . . . 6.0 112.351 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -126.11 84.86 2.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.966 2.107 . . . . 6.0 108.556 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -44.85 -42.25 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.332 1.853 . . . . 6.0 113.321 -172.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -86.74 -19.91 28.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 6.0 115.625 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -94.76 -25.03 16.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.438 1.273 . . . . 6.0 114.438 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -44.2 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.735 1.214 . . . . 6.0 111.677 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 30.9 tpp -58.75 137.69 86.74 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.896 1.679 . . . . 6.0 114.151 -173.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.3 3.07 4.38 Favored 'Trans proline' 0 CA--C 1.548 1.208 0 C-N-CA 123.441 2.76 . . . . 6.0 113.437 175.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 62.81 -27.14 0.07 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 130.103 3.361 . . . . 6.0 117.29 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -55.75 -40.93 81.67 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 118.62 2.208 . . . . 6.0 118.62 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.38 118.01 3.53 Favored Pre-proline 0 N--CA 1.479 1.011 0 CA-C-N 120.065 1.933 . . . . 6.0 114.927 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . 0.461 ' HG2' ' H ' ' B' ' 822' ' ' LEU . 49.9 Cg_endo -81.21 -90.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.28 0 C-N-CA 124.884 3.722 . . . . 6.0 115.866 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . 0.461 ' H ' ' HG2' ' B' ' 821' ' ' PRO . 1.3 mm? -64.63 -0.7 1.5 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.209 1.804 . . . . 6.0 115.399 -172.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.02 -5.09 39.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.06 2.144 . . . . 6.0 111.638 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -41.72 -31.46 0.3 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 129.016 2.926 . . . . 6.0 114.964 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -43.22 -37.46 3.27 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.769 1.652 . . . . 6.0 113.543 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -132.31 -13.14 3.09 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.027 1.331 . . . . 6.0 113.528 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.64 -19.67 63.61 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.769 1.168 . . . . 6.0 113.802 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.4 t -154.96 163.85 39.71 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.537 1.135 . . . . 6.0 112.424 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 6.7 m 22.1 81.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 128.859 2.864 . . . . 6.0 115.229 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.04 172.44 10.06 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.75 1.759 . . . . 6.0 115.75 -176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.33 -35.3 65.04 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.411 -1.43 . . . . 6.0 113.568 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.92 -27.12 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.458 -0.776 . . . . 6.0 111.754 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -36.03 60.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 127.25 2.22 . . . . 6.0 113.502 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 15.9 m -109.63 -1.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 6.0 112.947 -175.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 3.9 t 72.7 159.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.219 2.608 . . . . 6.0 114.529 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -145.86 73.58 13.58 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 126.134 1.774 . . . . 6.0 109.989 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.83 153.38 19.9 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.689 3.593 . . . . 6.0 114.243 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 125.073 1.349 . . . . 6.0 112.431 179.105 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.976 0 N-CA-C 113.772 1.027 . . . . 6.0 113.772 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 6.6 t -81.39 162.77 23.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.853 1.261 . . . . 6.0 112.433 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -179.77 55.39 0.08 OUTLIER Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.41 -1.216 . . . . 6.0 115.476 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -62.44 -24.35 75.5 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.301 2.667 . . . . 6.0 112.987 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.8 p -68.22 -10.6 55.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.279 1.832 . . . . 6.0 112.965 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.27 25.84 2.43 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.476 1.911 . . . . 6.0 113.009 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.2 107.29 0.59 Allowed Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 125.152 1.381 . . . . 6.0 113.92 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.24 -41.83 69.52 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.439 3.426 . . . . 6.0 115.045 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.95 -47.41 71.71 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.474 -0.766 . . . . 6.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -60.4 -47.21 87.05 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.79 0.436 . . . . 6.0 110.275 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -45.54 52.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.238 1.415 . . . . 6.0 111.4 176.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -67.52 -24.35 65.55 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.023 1.12 . . . . 6.0 114.023 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.67 -51.84 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.183 1.356 . . . . 6.0 112.378 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -38.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.063 0.847 . . . . 6.0 110.585 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -53.56 -52.91 58.22 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.049 0.84 . . . . 6.0 112.594 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.58 -40.74 89.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.154 -0.927 . . . . 6.0 112.91 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.22 -43.66 94.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.136 1.334 . . . . 6.0 111.049 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.18 -53.33 58.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.834 0.854 . . . . 6.0 110.695 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 29.3 t -62.19 -40.12 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 112.909 0.707 . . . . 6.0 112.909 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -40.49 89.57 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.612 0.642 . . . . 6.0 111.84 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.64 -45.35 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.786 0.721 . . . . 6.0 110.559 175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.3 -44.65 80.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.608 0.763 . . . . 6.0 111.098 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . 0.571 ' CE1' ' HZ1' ' A' ' 365' ' ' LYS . 49.9 t60 -63.02 -55.19 27.77 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.22 0.464 . . . . 6.0 110.901 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.38 -36.46 63.91 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.426 1.269 . . . . 6.0 114.426 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.38 -57.97 10.5 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.027 0.83 . . . . 6.0 110.509 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . 0.571 ' HZ1' ' CE1' ' A' ' 362' ' ' HIS . 0.0 OUTLIER -54.19 -41.31 68.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.936 1.295 . . . . 6.0 110.637 174.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . 0.439 ' CB ' ' HZ2' ' A' ' 365' ' ' LYS . 1.8 t -67.29 -36.73 82.15 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 122.075 -0.391 . . . . 6.0 111.715 -177.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -39.61 83.9 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.741 -1.224 . . . . 6.0 108.557 175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -45.21 81.32 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.709 -1.244 . . . . 6.0 110.807 172.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -64.83 -35.27 80.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.228 1.011 . . . . 6.0 112.676 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.71 -41.78 99.31 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.973 0.806 . . . . 6.0 110.715 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -67.7 -32.73 73.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.025 0.93 . . . . 6.0 112.272 176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -72.74 -9.94 59.22 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.44 1.496 . . . . 6.0 114.561 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -122.22 164.89 17.05 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.528 1.531 . . . . 6.0 112.669 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -35.44 54.41 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.712 0.672 . . . . 6.0 114.148 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -157.92 145.06 18.1 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.966 1.306 . . . . 6.0 111.532 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 90.9 t -143.44 138.53 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.818 2.047 . . . . 6.0 107.303 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -13.08 6.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.781 1.4 . . . . 6.0 114.781 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -161.24 167.86 25.2 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.915 1.286 . . . . 6.0 112.895 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 48.5 t -144.52 153.55 41.97 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.161 2.185 . . . . 6.0 109.504 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 47.8 m -68.81 -20.38 64.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.553 1.316 . . . . 6.0 114.553 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.37 122.05 82.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 119.421 1.01 . . . . 6.0 112.328 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -45.5 -25.24 2.13 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 126.261 4.641 . . . . 6.0 118.291 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.38 17.82 4.43 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.047 1.339 . . . . 6.0 114.435 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.7 t -53.81 -51.4 63.61 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.085 0.857 . . . . 6.0 110.887 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -38.21 74.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.511 1.524 . . . . 6.0 113.365 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 38.1 m -63.49 -50.39 69.83 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.285 1.034 . . . . 6.0 109.457 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.3 mmt -65.73 -42.77 90.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.102 1.361 . . . . 6.0 112.657 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.91 -42.79 85.48 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.352 0.978 . . . . 6.0 110.926 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.8 -39.92 91.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.412 0.685 . . . . 6.0 112.057 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.25 -46.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.031 0.932 . . . . 6.0 110.737 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.13 -46.71 86.0 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.659 1.184 . . . . 6.0 111.27 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.95 -42.26 89.39 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.779 -0.576 . . . . 6.0 111.04 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -60.05 -53.67 55.01 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.62 0.645 . . . . 6.0 109.672 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.8 mtp -52.57 -41.68 63.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.239 1.416 . . . . 6.0 112.4 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.3 m -72.22 -3.83 25.86 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.593 1.557 . . . . 6.0 113.613 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -126.65 -2.55 6.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.117 1.767 . . . . 6.0 112.055 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.501 ' CB ' HH22 ' A' ' 412' ' ' ARG . 11.1 t -90.02 161.42 15.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.894 2.478 . . . . 6.0 109.849 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -138.0 0.59 2.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.625 1.57 . . . . 6.0 113.056 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.27 38.01 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.624 1.342 . . . . 6.0 114.624 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 53.15 -137.73 36.75 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.868 1.223 . . . . 6.0 114.056 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -71.77 13.91 0.24 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.642 1.577 . . . . 6.0 114.095 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.84 10.73 5.55 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.832 1.653 . . . . 6.0 114.163 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 35.2 t -58.0 150.04 21.72 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 122.041 0.924 . . . . 6.0 112.938 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -78.1 -20.36 52.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.186 1.394 . . . . 6.0 112.868 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.02 118.05 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 119.326 0.966 . . . . 6.0 108.801 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.22 -42.8 20.9 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.542 2.053 . . . . 6.0 116.542 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -89.95 -21.97 22.18 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.73 -70.57 0.17 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.162 1.385 . . . . 6.0 113.807 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.04 69.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.478 -0.764 . . . . 6.0 112.297 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 54.8 m -64.28 -49.51 71.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.25 0.62 . . . . 6.0 111.068 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -60.26 -43.11 96.45 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.402 1.481 . . . . 6.0 112.173 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.501 HH22 ' CB ' ' A' ' 397' ' ' CYS . 57.3 mtt85 -52.42 -48.85 65.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.018 0.927 . . . . 6.0 110.881 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.68 -44.08 71.21 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.157 0.983 . . . . 6.0 112.292 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.99 -44.21 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.302 -0.874 . . . . 6.0 113.345 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.61 -43.07 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.695 1.198 . . . . 6.0 109.35 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.9 m -59.27 -27.28 65.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -67.69 -52.33 39.05 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.022 1.283 . . . . 6.0 110.868 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.79 -33.83 70.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.368 1.067 . . . . 6.0 112.4 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -65.29 -12.66 53.92 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.721 1.378 . . . . 6.0 114.721 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -128.23 -30.24 2.42 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.551 1.686 . . . . 6.0 115.551 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.8 t -69.51 143.64 53.39 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.743 1.156 . . . . 6.0 113.379 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.5 p -138.61 -6.85 1.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.427 1.891 . . . . 6.0 113.134 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -63.21 116.23 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.439 1.896 . . . . 6.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -65.55 -9.1 23.57 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.47 1.656 . . . . 6.0 115.47 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -124.1 14.23 9.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.785 1.234 . . . . 6.0 113.846 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.6 126.76 76.57 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 106.799 -1.556 . . . . 6.0 106.799 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -64.41 -38.62 32.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.049 1.833 . . . . 6.0 112.747 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.49 -47.65 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 118.682 -0.675 . . . . 6.0 110.252 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.678 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 72.5 m -70.0 -30.35 67.66 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.726 1.38 . . . . 6.0 114.726 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -38.37 -57.44 1.84 Allowed Pre-proline 0 N--CA 1.478 0.956 0 CA-C-N 121.052 1.751 . . . . 6.0 114.474 -175.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.2 -35.09 93.31 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 121.761 1.641 . . . . 6.0 113.579 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.26 -40.96 74.07 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.329 1.422 . . . . 6.0 110.667 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.678 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 41.3 mttt -61.89 -34.66 76.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.549 1.54 . . . . 6.0 109.551 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -69.17 -51.92 33.3 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.137 0.881 . . . . 6.0 110.007 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -52.4 -23.14 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.778 2.031 . . . . 6.0 114.593 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 38.2 p -121.13 6.78 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 114.866 1.432 . . . . 6.0 114.866 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -122.39 -9.8 8.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.016 0.927 . . . . 6.0 113.19 175.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -57.36 -36.24 70.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.973 0.909 . . . . 6.0 110.565 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 23.9 ttm105 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 129.415 3.086 . . . . 6.0 114.742 172.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 N-CA-C 114.704 0.641 . . . . 6.0 114.704 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 32.7 t -149.97 160.79 43.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.741 1.616 . . . . 6.0 111.775 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -130.82 10.69 5.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.378 1.871 . . . . 6.0 111.68 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -109.49 -3.18 17.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.457 1.503 . . . . 6.0 113.931 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.47 150.13 46.58 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 126.424 1.89 . . . . 6.0 110.956 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -82.37 25.61 0.66 Allowed 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.616 3.544 . . . . 6.0 114.677 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -130.36 123.64 20.66 Favored Pre-proline 0 CA--C 1.546 0.794 0 C-N-CA 126.439 1.896 . . . . 6.0 112.48 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -59.39 162.3 14.98 Favored 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 123.596 2.864 . . . . 6.0 114.07 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.23 112.57 2.45 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.007 2.123 . . . . 6.0 114.178 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -59.22 123.42 69.77 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 125.646 1.579 . . . . 6.0 111.268 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -51.92 125.46 17.22 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.388 2.725 . . . . 6.0 113.643 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -48.13 -41.31 26.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.218 1.807 . . . . 6.0 114.611 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.16 -25.46 64.38 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.41 1.084 . . . . 6.0 113.328 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.8 mt -90.05 -26.94 20.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.265 1.026 . . . . 6.0 112.056 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -56.28 -36.51 68.69 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.706 1.139 . . . . 6.0 112.015 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -72.73 -11.78 60.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 6.0 114.478 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.49 138.47 51.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.577 1.08 . . . . 6.0 111.113 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -74.06 103.07 4.4 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.457 0.703 . . . . 6.0 110.308 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.3 p -87.09 -10.69 52.25 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.651 1.181 . . . . 6.0 114.071 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.94 -47.65 98.51 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 120.245 1.384 . . . . 6.0 113.681 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.48 -23.12 23.88 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.142 1.895 . . . . 6.0 111.475 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.7 mtt -67.54 -16.44 64.19 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.313 1.045 . . . . 6.0 113.333 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.04 -22.11 9.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.898 1.444 . . . . 6.0 114.898 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.1 pt -63.63 -28.99 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.122 0.874 . . . . 6.0 111.808 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.89 -13.63 50.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.902 1.681 . . . . 6.0 114.142 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -47.01 -28.27 1.59 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.206 2.299 . . . . 6.0 117.206 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -141.31 33.52 1.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.445 1.498 . . . . 6.0 112.116 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.5 m -126.61 19.94 7.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.151 1.537 . . . . 6.0 115.151 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.6 t -143.56 157.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.175 0.99 . . . . 6.0 112.419 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -123.05 82.75 2.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.862 2.065 . . . . 6.0 108.693 175.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.6 mt -47.63 -38.46 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.573 1.549 . . . . 6.0 112.46 -174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -89.67 -19.8 24.41 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.588 1.699 . . . . 6.0 115.588 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -100.19 -20.89 15.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.108 1.522 . . . . 6.0 115.108 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -42.68 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.513 1.125 . . . . 6.0 111.705 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.9 tpp -61.09 139.9 94.23 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.269 1.827 . . . . 6.0 115.824 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.29 -8.01 7.75 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 124.34 3.36 . . . . 6.0 116.127 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 66.2 t30 54.5 53.4 10.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.03 2.132 . . . . 6.0 115.429 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -110.2 -68.54 0.59 Allowed Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.452 1.025 . . . . 6.0 113.652 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -158.88 142.66 11.04 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.567 1.547 . . . . 6.0 111.562 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.55 -43.68 0.07 OUTLIER 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.397 2.064 . . . . 6.0 113.348 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.23 -23.25 65.49 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.704 1.202 . . . . 6.0 112.792 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.26 33.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.743 2.817 . . . . 6.0 111.263 173.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.33 17.66 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.895 1.278 . . . . 6.0 114.317 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -63.58 -12.17 45.32 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.537 1.065 . . . . 6.0 114.523 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -137.49 20.21 2.92 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.664 2.385 . . . . 6.0 111.677 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -130.14 -154.28 0.62 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.021 0.928 . . . . 6.0 111.249 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . 0.324 9.0 t 47.01 -130.89 1.38 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.849 1.66 . . . . 6.0 111.874 -176.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.04 151.0 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.311 1.414 . . . . 6.0 113.763 -175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -142.47 -98.88 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.623 1.169 . . . . 6.0 112.094 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.08 -25.57 67.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 119.952 -1.718 . . . . 6.0 113.114 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.13 -8.87 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.25 1.82 . . . . 6.0 114.782 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 -26.18 0.77 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.99 1.848 . . . . 6.0 115.99 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.56 -37.16 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -170.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 80.0 p -162.8 175.39 11.33 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 6.0 113.464 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.63 133.74 86.01 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 124.212 1.005 . . . . 6.0 111.494 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.18 -21.52 9.53 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 124.463 3.442 . . . . 6.0 117.834 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.832 1.253 . . . . 6.0 112.29 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 112.69 0.626 . . . . 6.0 112.69 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 4.8 t -75.74 -4.7 41.9 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.044 -1.035 . . . . 6.0 113.58 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 57.39 55.67 29.17 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.434 1.492 . . . . 6.0 114.822 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.22 -23.19 72.74 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.177 2.584 . . . . 6.0 113.772 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 16.5 p -97.46 5.88 49.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.598 1.959 . . . . 6.0 113.107 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -129.82 -33.62 1.79 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.63 1.344 . . . . 6.0 114.63 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 24.9 t0 20.78 83.88 0.1 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 129.795 3.238 . . . . 6.0 115.621 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.18 -42.38 33.18 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.855 3.703 . . . . 6.0 115.022 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.33 -48.28 67.99 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.08 0.952 . . . . 6.0 111.839 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -64.64 -44.11 91.54 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.52 -0.738 . . . . 6.0 110.867 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -54.49 -43.7 72.01 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.548 1.539 . . . . 6.0 110.573 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -62.46 -47.36 84.36 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.071 0.948 . . . . 6.0 110.611 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.23 -47.96 81.88 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -43.25 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.323 1.42 . . . . 6.0 110.988 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -53.85 -46.72 71.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.166 0.894 . . . . 6.0 112.553 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.28 -47.58 83.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.056 0.943 . . . . 6.0 111.672 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.41 -43.23 98.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.553 1.07 . . . . 6.0 110.822 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.74 -56.72 14.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 6.0 110.439 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.26 -38.79 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 113.389 0.885 . . . . 6.0 113.389 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.42 -40.53 91.37 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.112 0.869 . . . . 6.0 111.152 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 23.5 mt -65.01 -44.51 88.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.741 0.701 . . . . 6.0 110.428 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 78.9 mt -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.795 0.838 . . . . 6.0 111.457 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -66.65 -56.73 9.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.7 0.4 . . . . 6.0 110.279 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.82 -41.69 61.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.572 1.549 . . . . 6.0 114.785 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -61.58 -52.86 62.67 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.41 1.005 . . . . 6.0 110.863 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -61.73 -35.46 78.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.288 0.635 . . . . 6.0 111.769 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.39 -37.78 88.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.221 1.009 . . . . 6.0 110.939 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -68.03 -35.55 78.46 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.963 -1.086 . . . . 6.0 109.536 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -63.47 -43.41 97.41 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.677 -1.264 . . . . 6.0 110.777 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 -60.44 -40.03 89.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.265 1.026 . . . . 6.0 110.987 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.1 -48.4 73.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.093 0.957 . . . . 6.0 111.244 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -57.86 -28.82 64.5 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.822 1.249 . . . . 6.0 113.156 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.45 -10.27 54.21 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 114.108 1.151 . . . . 6.0 114.108 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -130.52 -42.33 1.17 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.405 1.482 . . . . 6.0 113.152 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.95 38.22 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 126.145 1.831 . . . . 6.0 115.247 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -139.46 22.55 2.53 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.0 1.4 . . . . 6.0 113.53 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.58 144.39 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 120.765 -1.209 . . . . 6.0 112.37 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.79 156.05 25.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.094 0.958 . . . . 6.0 110.026 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.5 151.62 19.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.85 1.056 . . . . 6.0 113.85 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 7.2 p -73.38 -87.65 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.969 2.507 . . . . 6.0 112.726 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 85.3 p -169.33 -13.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.436 1.894 . . . . 6.0 115.011 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.32 122.72 77.46 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 120.079 1.308 . . . . 6.0 112.958 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -46.09 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 125.899 4.399 . . . . 6.0 118.161 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -131.5 23.04 4.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.676 1.191 . . . . 6.0 113.649 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.31 -47.86 68.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.828 0.851 . . . . 6.0 111.72 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.99 77.04 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.436 1.094 . . . . 6.0 112.919 176.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 61.1 m -63.22 -50.54 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.775 1.23 . . . . 6.0 108.963 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -64.69 -45.02 88.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.624 1.169 . . . . 6.0 112.681 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -57.13 -44.19 83.11 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.315 0.961 . . . . 6.0 111.32 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.57 -40.53 92.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.372 0.669 . . . . 6.0 112.143 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.03 -45.44 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.104 0.962 . . . . 6.0 110.844 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.36 -46.95 84.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.524 1.13 . . . . 6.0 111.295 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.08 -42.97 86.7 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.845 -0.534 . . . . 6.0 111.127 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -60.29 -52.57 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.223 0.609 . . . . 6.0 110.142 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 73.4 mtp -53.76 -37.58 63.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.32 1.448 . . . . 6.0 112.789 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 6.9 m -71.61 1.44 6.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.571 1.549 . . . . 6.0 113.608 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -130.0 -28.69 2.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.139 1.776 . . . . 6.0 111.488 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.46 140.67 58.04 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.743 2.017 . . . . 6.0 111.571 176.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.37 5.04 11.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.426 1.491 . . . . 6.0 112.972 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.72 -5.59 48.67 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.066 1.136 . . . . 6.0 114.066 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 57.04 -87.34 0.01 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 127.061 2.267 . . . . 6.0 115.52 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -124.88 18.18 8.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.368 1.467 . . . . 6.0 113.472 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -127.99 15.96 6.81 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.799 1.64 . . . . 6.0 113.606 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -63.67 161.03 15.68 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.114 1.366 . . . . 6.0 113.856 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.47 -21.95 32.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.733 1.613 . . . . 6.0 111.918 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.1 t -79.75 115.51 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.408 -0.96 . . . . 6.0 108.408 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.56 -41.18 66.2 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -83.13 -21.43 33.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.5 t -61.32 -68.2 0.34 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.206 1.366 . . . . 6.0 112.832 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.63 76.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.349 0.87 . . . . 6.0 113.349 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 28.4 p -64.84 -52.7 55.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.954 0.343 . . . . 6.0 110.474 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.2 m -54.37 -44.98 72.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.579 1.152 . . . . 6.0 112.523 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.5 -37.89 73.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 6.0 112.232 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -76.03 -44.69 38.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.743 1.217 . . . . 6.0 112.306 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -44.21 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.167 1.387 . . . . 6.0 113.824 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.01 -44.73 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.973 1.309 . . . . 6.0 110.684 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 71.9 m -60.58 -21.4 62.57 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.658 1.725 . . . . 6.0 115.658 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -68.44 -55.56 11.45 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.539 1.518 . . . . 6.0 110.737 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -57.76 -32.02 67.07 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.017 1.327 . . . . 6.0 113.07 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.41 -12.53 61.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.835 1.42 . . . . 6.0 114.835 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -129.61 -30.93 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.466 1.654 . . . . 6.0 115.466 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.02 141.18 54.93 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.496 1.044 . . . . 6.0 112.971 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 64.7 p -134.5 -5.67 2.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.108 1.763 . . . . 6.0 113.413 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.48 118.81 8.05 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.75 1.62 . . . . 6.0 110.963 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -67.67 -8.81 37.98 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.349 1.611 . . . . 6.0 115.349 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.61 15.65 8.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.051 1.34 . . . . 6.0 113.317 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.85 127.62 68.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 107.692 -1.225 . . . . 6.0 107.692 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -61.3 -39.35 58.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.939 1.759 . . . . 6.0 112.055 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.12 -52.13 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.376 1.071 . . . . 6.0 111.582 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.674 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 87.9 m -70.28 -29.05 65.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 69.7 tp -42.48 -53.8 8.84 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 121.112 1.778 . . . . 6.0 115.042 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.01 -36.04 98.33 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.166 1.809 . . . . 6.0 113.203 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 -41.95 64.37 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.607 1.549 . . . . 6.0 111.478 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.674 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 42.6 mttt -62.13 -30.99 71.41 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.533 1.533 . . . . 6.0 109.741 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -77.33 -46.16 23.82 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.002 1.321 . . . . 6.0 110.547 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -54.94 -23.99 21.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.543 1.937 . . . . 6.0 113.387 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 80.1 p -109.93 11.26 24.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.918 1.687 . . . . 6.0 114.463 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -146.74 23.8 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.158 1.783 . . . . 6.0 111.57 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -74.33 136.16 42.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.61 1.564 . . . . 6.0 112.052 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 125.718 1.607 . . . . 6.0 112.298 178.739 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.388 0 CA-C-O 119.581 -0.566 . . . . 6.0 114.513 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 13.1 m -44.33 -32.6 1.36 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.256 2.222 . . . . 6.0 115.705 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -66.26 -15.51 63.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.189 1.395 . . . . 6.0 114.617 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 15.1 tpt -137.1 -24.16 1.11 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.789 1.774 . . . . 6.0 115.789 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 16.9 m -144.12 143.54 22.93 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.137 1.375 . . . . 6.0 113.137 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -74.74 139.86 25.53 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.766 2.311 . . . . 6.0 110.169 176.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.01 112.28 2.5 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.762 0.825 . . . . 6.0 111.225 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.57 162.1 10.96 Favored 'Trans proline' 0 CA--C 1.55 1.297 0 C-N-CA 123.314 2.676 . . . . 6.0 114.251 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.22 109.5 1.14 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.743 2.017 . . . . 6.0 113.215 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 791' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' B' ' 792' ' ' PRO . 10.8 tp -61.56 139.29 95.11 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.994 1.317 . . . . 6.0 112.718 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 792' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' B' ' 791' ' ' LEU . 71.1 Cg_endo -69.62 121.14 7.86 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.758 2.972 . . . . 6.0 112.99 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -51.12 -36.64 41.62 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.072 1.349 . . . . 6.0 114.51 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.4 -31.69 73.01 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.615 -0.678 . . . . 6.0 112.725 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.98 -28.14 19.32 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.551 0.74 . . . . 6.0 112.861 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -54.79 -31.32 58.81 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.829 1.195 . . . . 6.0 112.766 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.49 -13.43 61.42 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.057 1.343 . . . . 6.0 114.061 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.67 131.75 45.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.651 1.114 . . . . 6.0 111.377 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -72.33 111.93 7.96 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.141 -1.059 . . . . 6.0 108.141 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -89.42 -6.56 56.44 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.94 1.459 . . . . 6.0 114.94 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -57.65 -43.66 98.96 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.89 1.223 . . . . 6.0 112.969 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.59 -37.92 66.0 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.216 1.944 . . . . 6.0 112.062 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -17.07 60.96 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.788 1.033 . . . . 6.0 113.788 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -53.52 -24.13 12.45 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.288 1.404 . . . . 6.0 113.923 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -65.57 -28.4 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.315 0.961 . . . . 6.0 112.089 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -86.57 -10.69 53.44 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.427 1.891 . . . . 6.0 114.544 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -48.16 -24.8 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 117.833 2.531 . . . . 6.0 117.833 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -140.95 35.48 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.86 1.264 . . . . 6.0 111.668 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.3 m -131.73 19.87 4.65 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.509 1.67 . . . . 6.0 115.509 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.6 152.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.752 0.821 . . . . 6.0 112.237 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -123.21 85.36 2.41 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.711 2.004 . . . . 6.0 108.408 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -46.13 -39.72 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.102 1.761 . . . . 6.0 112.839 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 813' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.45 -19.89 28.95 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.924 1.824 . . . . 6.0 115.924 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.43 -24.77 17.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.536 1.31 . . . . 6.0 114.536 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -40.45 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.705 1.202 . . . . 6.0 112.388 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 15.4 tpp -62.23 142.51 95.8 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 6.0 113.843 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.21 2.46 3.76 Favored 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 123.573 2.849 . . . . 6.0 114.389 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 63.8 t30 44.73 71.38 0.26 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.136 2.574 . . . . 6.0 115.893 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -134.11 -58.37 0.07 OUTLIER Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.297 0.951 . . . . 6.0 112.859 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.44 155.82 19.36 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.923 1.689 . . . . 6.0 111.071 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -79.68 -27.79 3.82 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 121.388 1.392 . . . . 6.0 110.508 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.69 -9.62 51.39 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.341 1.856 . . . . 6.0 113.106 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -7.51 4.64 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 129.729 3.212 . . . . 6.0 112.386 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -44.81 -28.85 0.69 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.868 2.467 . . . . 6.0 115.076 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -55.92 -25.82 46.36 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 124.411 1.005 . . . . 6.0 114.151 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -127.01 -23.43 3.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.409 1.883 . . . . 6.0 112.679 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -75.77 -17.6 59.83 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.876 1.27 . . . . 6.0 113.818 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 14.3 t -146.03 -160.83 1.2 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.475 1.51 . . . . 6.0 111.608 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 5.5 m -133.01 152.32 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.987 1.715 . . . . 6.0 115.567 -170.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -145.01 -86.82 0.12 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.296 1.038 . . . . 6.0 112.503 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.85 19.21 0.15 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.29 1.436 . . . . 6.0 113.76 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.92 5.76 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.135 1.774 . . . . 6.0 113.925 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -147.4 -22.98 0.39 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.666 1.728 . . . . 6.0 115.666 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.62 -21.13 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 116.386 1.995 . . . . 6.0 116.386 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 8.3 t -159.02 179.3 9.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.864 1.266 . . . . 6.0 111.289 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -52.02 150.99 7.15 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 126.505 1.922 . . . . 6.0 114.595 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.49 129.86 17.51 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.458 2.105 . . . . 6.0 110.049 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 71.9 m . . . . . 0 N--CA 1.477 0.884 0 C-N-CA 124.678 1.191 . . . . 6.0 111.826 -178.65 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 CA--C 1.552 1.04 0 N-CA-C 115.597 1.703 . . . . 6.0 115.597 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -48.32 -39.67 35.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.818 3.678 . . . . 6.0 115.416 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.73 -51.34 57.02 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.174 0.989 . . . . 6.0 110.987 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -64.24 -44.48 91.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.108 0.963 . . . . 6.0 111.783 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.94 -45.08 60.48 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.681 1.592 . . . . 6.0 110.886 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -67.18 -39.28 86.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.658 0.783 . . . . 6.0 112.246 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 807' ' ' ARG . 41.7 mt -60.13 -47.79 84.44 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -42.22 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.434 1.47 . . . . 6.0 110.865 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -54.21 -48.03 71.48 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.31 0.959 . . . . 6.0 112.698 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.02 -47.66 83.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.166 0.986 . . . . 6.0 111.728 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -63.77 -44.36 93.66 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.369 0.986 . . . . 6.0 111.162 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.34 -56.81 13.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.811 0.845 . . . . 6.0 109.998 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.419 HG21 HG23 ' B' ' 812' ' ' ILE . 24.2 t -60.75 -40.33 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 113.345 0.869 . . . . 6.0 113.345 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.78 -40.45 83.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.048 0.84 . . . . 6.0 111.507 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.94 -43.96 86.51 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.495 0.589 . . . . 6.0 110.877 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.32 -42.98 82.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.098 0.559 . . . . 6.0 111.336 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -62.45 -59.06 5.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.068 0.461 . . . . 6.0 110.011 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.87 67.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -55.7 -52.8 62.66 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 120.397 1.453 . . . . 6.0 111.489 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.12 -33.52 50.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 6.0 111.279 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.59 -35.49 79.71 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.976 0.807 . . . . 6.0 111.728 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 CA--C 1.54 0.576 0 O-C-N 120.41 -1.431 . . . . 6.0 110.234 174.391 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.557 1.228 0 CA-C-O 118.789 -0.624 . . . . 6.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.8 Cg_exo -46.22 -26.33 3.74 Favored 'Trans proline' 0 C--N 1.354 0.86 1 C-N-CA 125.785 4.323 . . . . 6.0 118.218 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.77 18.82 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.279 1.432 . . . . 6.0 113.552 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.04 -51.96 60.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.759 0.79 . . . . 6.0 110.097 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.11 78.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.688 1.595 . . . . 6.0 113.481 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 33.0 m -62.98 -49.81 73.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.167 0.987 . . . . 6.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.2 mmt -65.37 -45.68 83.15 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.079 0.952 . . . . 6.0 111.461 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -55.11 -41.96 72.31 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.965 1.257 . . . . 6.0 111.94 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -63.34 -46.14 88.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.12 0.568 . . . . 6.0 111.604 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.58 -41.33 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.56 1.144 . . . . 6.0 111.85 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.21 -48.79 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.51 1.924 . . . . 6.0 112.334 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -58.86 -39.91 82.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.818 -0.551 . . . . 6.0 110.669 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -62.5 -53.37 55.73 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.987 0.915 . . . . 6.0 110.635 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 57.9 mtp -52.17 -35.83 49.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.398 1.879 . . . . 6.0 113.632 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 124.883 1.273 . . . . 6.0 113.051 179.619 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 109.148 -0.686 . . . . 6.0 109.148 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.95 62.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -81.42 -26.16 35.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.556 1.317 . . . . 6.0 114.556 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.43 -68.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.929 1.695 . . . . 6.0 113.91 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.83 75.81 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.57 -0.706 . . . . 6.0 112.193 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.518 ' HA ' HD22 ' B' ' 798' ' ' LEU . 48.0 t -62.12 -52.72 62.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.694 0.797 . . . . 6.0 110.454 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 72.8 m -58.47 -45.35 88.79 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.708 1.603 . . . . 6.0 112.317 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -56.21 -43.14 78.24 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.488 -0.757 . . . . 6.0 111.83 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -72.65 -41.95 64.9 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.81 0.67 . . . . 6.0 112.81 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.07 -41.64 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.075 -1.016 . . . . 6.0 113.221 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.96 -47.21 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.714 1.206 . . . . 6.0 110.345 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.5 m -56.48 -25.76 52.13 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.037 1.495 . . . . 6.0 115.037 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -69.25 -61.21 1.88 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.647 1.112 . . . . 6.0 110.441 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -57.43 -32.31 66.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.939 1.295 . . . . 6.0 112.566 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -57.63 -22.38 45.16 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.566 1.321 . . . . 6.0 114.566 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -129.3 -28.36 2.34 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -172.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.43 139.2 57.97 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.727 1.149 . . . . 6.0 113.213 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.2 p -133.22 -5.2 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.94 1.696 . . . . 6.0 113.525 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.18 116.79 4.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.587 1.555 . . . . 6.0 110.923 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -66.02 -8.23 21.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.724 1.75 . . . . 6.0 115.724 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -127.12 15.0 7.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.952 1.301 . . . . 6.0 113.558 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.09 127.13 69.1 Favored Pre-proline 0 CA--C 1.55 0.946 0 N-CA-C 107.109 -1.441 . . . . 6.0 107.109 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.92 -43.1 32.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.233 1.955 . . . . 6.0 111.683 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.31 -51.67 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-O 117.888 -1.053 . . . . 6.0 111.217 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.685 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 73.6 m -69.97 -29.04 66.06 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.639 1.718 . . . . 6.0 115.639 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 65.2 tp -41.77 -54.26 7.02 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 121.133 1.788 . . . . 6.0 115.275 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.23 -34.35 98.49 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 CA-C-N 122.088 1.782 . . . . 6.0 113.261 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.31 -43.38 56.98 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.939 1.245 . . . . 6.0 111.4 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.685 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.7 mttt -60.43 -31.59 70.55 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.3 1.44 . . . . 6.0 109.905 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -77.68 -45.12 25.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.604 1.561 . . . . 6.0 110.632 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 125.922 1.689 . . . . 6.0 113.343 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 118.95 -0.548 . . . . 6.0 111.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -58.53 163.05 11.26 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 C-N-CA 123.152 2.568 . . . . 6.0 113.522 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.77 103.86 0.38 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.533 1.933 . . . . 6.0 113.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.37 124.43 39.85 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.116 1.766 . . . . 6.0 109.796 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -55.05 122.5 11.81 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.612 2.208 . . . . 6.0 112.814 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -54.52 -34.3 61.47 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.461 1.282 . . . . 6.0 114.461 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.24 -25.99 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.555 -0.715 . . . . 6.0 112.749 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.99 -23.17 21.58 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.24 1.016 . . . . 6.0 112.14 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -58.38 -34.38 70.65 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.064 1.302 . . . . 6.0 111.159 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.84 -23.29 67.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.429 1.491 . . . . 6.0 113.734 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.3 mt -70.67 121.97 18.92 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.47 0.708 . . . . 6.0 110.523 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -68.65 117.95 11.03 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.899 -1.148 . . . . 6.0 107.899 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.11 -5.11 58.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.588 1.555 . . . . 6.0 114.916 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.16 -44.68 99.82 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 120.082 1.31 . . . . 6.0 113.159 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.61 -36.6 74.84 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.267 1.978 . . . . 6.0 111.894 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -17.35 64.32 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.779 1.029 . . . . 6.0 113.779 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.78 -24.69 9.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.33 1.423 . . . . 6.0 114.09 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.13 -27.45 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 118.793 0.724 . . . . 6.0 112.36 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.5 -10.17 54.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.466 1.907 . . . . 6.0 114.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 807' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 352' ' ' LEU . 35.1 tpt85 -47.71 -24.71 1.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.249 2.315 . . . . 6.0 117.249 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -141.5 34.58 1.65 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.641 1.177 . . . . 6.0 111.553 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.2 m -131.2 20.77 4.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 156.98 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.845 0.858 . . . . 6.0 112.755 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -124.34 83.11 2.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.393 2.277 . . . . 6.0 109.53 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.419 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.19 -38.26 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.209 1.403 . . . . 6.0 112.662 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.4 mt-10 -89.53 -19.94 24.41 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.245 1.942 . . . . 6.0 116.245 -177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -102.8 -17.12 15.71 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.653 1.353 . . . . 6.0 114.653 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -43.06 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.085 0.954 . . . . 6.0 111.163 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 14.8 tpp . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 125.529 1.531 . . . . 6.0 113.814 -174.479 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.822 -1.177 . . . . 6.0 107.822 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.55 -43.74 43.6 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.162 3.241 . . . . 6.0 115.68 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -71.02 -48.88 50.47 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.421 -0.799 . . . . 6.0 112.001 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.74 97.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.872 -0.517 . . . . 6.0 110.843 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -54.81 -46.4 74.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.407 1.483 . . . . 6.0 110.989 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.25 -34.78 79.18 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.502 -0.761 . . . . 6.0 112.122 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.14 -48.44 80.11 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.697 1.135 . . . . 6.0 113.426 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.71 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.494 1.497 . . . . 6.0 110.806 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -56.95 -47.18 81.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.697 1.135 . . . . 6.0 112.078 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.26 -46.48 80.33 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.007 0.923 . . . . 6.0 111.988 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.16 -44.9 94.19 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.406 1.457 . . . . 6.0 110.595 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.07 -56.91 12.59 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 6.0 110.706 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.418 HG21 HG23 ' B' ' 812' ' ' ILE . 22.9 t -60.52 -38.57 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.64 -38.12 80.51 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.227 0.921 . . . . 6.0 111.293 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.61 -44.73 81.27 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.881 0.764 . . . . 6.0 110.515 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.68 -43.47 76.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.956 0.502 . . . . 6.0 110.72 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -64.1 -58.36 6.88 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.866 0.466 . . . . 6.0 110.937 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.09 -33.64 62.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.904 1.075 . . . . 6.0 113.904 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -57.63 -58.77 6.87 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.117 0.872 . . . . 6.0 109.804 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.9 -41.21 95.62 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.991 1.316 . . . . 6.0 112.084 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.2 t -62.45 -42.34 99.39 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.262 1.025 . . . . 6.0 111.639 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 . . . . . 0 CA--C 1.548 0.869 0 C-N-CA 125.022 1.329 . . . . 6.0 111.934 174.632 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.695 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.296 0 CA-C-O 118.861 -0.59 . . . . 6.0 109.76 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.695 ' HD2' HD13 ' A' ' 381' ' ' LEU . 32.8 Cg_exo -43.24 -32.03 2.98 Favored 'Trans proline' 0 C--N 1.353 0.789 1 C-N-CA 125.721 4.28 . . . . 6.0 118.862 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -129.97 23.54 5.31 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.815 1.246 . . . . 6.0 112.944 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.19 -47.09 75.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.78 0.832 . . . . 6.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -36.08 79.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.49 1.116 . . . . 6.0 112.918 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 23.1 m -62.45 -49.52 75.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.847 1.259 . . . . 6.0 109.323 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.72 -47.37 75.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.048 0.939 . . . . 6.0 111.777 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -54.34 -43.55 71.34 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.69 1.132 . . . . 6.0 111.669 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -62.11 -46.76 87.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.121 0.568 . . . . 6.0 111.512 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.31 -36.61 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.449 1.1 . . . . 6.0 111.974 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.22 -48.3 57.65 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.874 1.67 . . . . 6.0 112.282 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.97 -40.64 94.16 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.934 -0.479 . . . . 6.0 110.322 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -60.85 -52.18 66.16 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.137 0.975 . . . . 6.0 110.903 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -34.65 46.73 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.078 1.751 . . . . 6.0 113.48 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 124.388 1.075 . . . . 6.0 113.481 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 108.23 -1.026 . . . . 6.0 108.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.11 21.39 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.384 1.624 . . . . 6.0 115.384 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -88.66 -19.96 25.52 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.455 1.279 . . . . 6.0 114.455 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 14.8 t -67.03 -64.4 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.04 1.291 . . . . 6.0 110.87 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.305 0.854 . . . . 6.0 113.305 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 10.5 p -70.23 -52.1 25.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 119.139 -0.458 . . . . 6.0 111.013 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -51.87 -49.03 63.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.134 0.974 . . . . 6.0 112.141 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -47.51 -41.4 20.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.694 1.998 . . . . 6.0 112.524 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -84.01 -42.36 16.28 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.155 1.382 . . . . 6.0 112.93 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 414' ' ' ILE . 1.8 tt -58.92 -43.95 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.641 1.176 . . . . 6.0 112.91 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.6 mt -58.11 -44.92 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.962 1.705 . . . . 6.0 109.747 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.0 m -57.9 -24.84 59.53 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.749 1.389 . . . . 6.0 114.749 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -72.34 -55.12 7.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.253 1.388 . . . . 6.0 110.652 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -59.19 -31.26 68.85 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.986 1.314 . . . . 6.0 112.689 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.42 -14.09 61.67 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.193 1.397 . . . . 6.0 114.409 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -131.35 -31.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.9 t -68.77 138.88 55.19 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.557 1.071 . . . . 6.0 113.479 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 65.6 p -132.14 -3.12 3.53 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.68 1.992 . . . . 6.0 112.819 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -60.94 106.45 0.58 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.894 2.477 . . . . 6.0 110.869 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -64.9 -1.83 2.25 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.664 1.727 . . . . 6.0 115.664 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.25 17.38 4.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.305 1.442 . . . . 6.0 112.756 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 26.3 t -58.28 125.85 76.48 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.551 1.54 . . . . 6.0 109.986 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -40.62 56.66 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.295 2.664 . . . . 6.0 113.223 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 52.5 t -88.75 -49.17 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 117.07 -1.443 . . . . 6.0 112.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.568 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 37.0 m -71.42 -25.75 62.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 121.854 2.115 . . . . 6.0 115.631 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -39.26 -55.26 3.19 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 121.042 1.746 . . . . 6.0 114.885 -175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.98 -36.14 90.86 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.338 2.025 . . . . 6.0 113.451 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.76 -40.75 72.48 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.424 1.465 . . . . 6.0 111.198 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.568 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.1 mttt -64.61 -30.99 72.02 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.109 1.364 . . . . 6.0 109.531 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -73.37 -46.7 47.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.776 0.83 . . . . 6.0 109.846 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 126.035 1.734 . . . . 6.0 114.228 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.954 0.724 . . . . 6.0 112.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.52 162.03 25.78 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.786 2.324 . . . . 6.0 113.495 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.11 97.18 0.36 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.942 1.697 . . . . 6.0 114.292 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.3 tt -44.72 126.13 5.06 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 127.431 2.292 . . . . 6.0 111.5 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -52.46 125.95 19.26 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.409 2.739 . . . . 6.0 113.986 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -54.9 -33.8 62.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.787 1.235 . . . . 6.0 114.108 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.66 -28.24 67.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.131 -0.981 . . . . 6.0 112.001 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.11 -24.0 21.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.691 1.197 . . . . 6.0 112.832 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -52.76 -41.73 64.33 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 120.032 1.287 . . . . 6.0 111.77 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -69.38 -13.85 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.881 1.672 . . . . 6.0 114.556 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 31.6 mt -70.24 130.62 42.5 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.547 1.067 . . . . 6.0 111.128 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -71.14 105.75 3.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.694 0.798 . . . . 6.0 110.157 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.74 -9.02 53.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.051 1.34 . . . . 6.0 114.359 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.81 -46.2 99.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.249 1.386 . . . . 6.0 113.845 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.63 -23.63 26.64 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 121.844 1.696 . . . . 6.0 111.356 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.5 mtt -68.41 -16.79 64.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.356 1.062 . . . . 6.0 113.155 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.05 -24.45 6.74 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.339 1.237 . . . . 6.0 114.339 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.8 pt -63.56 -30.15 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 119.172 0.897 . . . . 6.0 112.174 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -83.7 -12.68 55.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.776 1.631 . . . . 6.0 114.519 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -48.17 -28.23 2.85 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.063 1.875 . . . . 6.0 116.063 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -134.07 35.21 3.29 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.553 1.069 . . . . 6.0 112.112 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -135.13 19.77 3.43 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.33 1.974 . . . . 6.0 116.33 -172.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.66 156.03 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.22 0.918 . . . . 6.0 112.686 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -123.85 86.43 2.57 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.54 2.336 . . . . 6.0 108.863 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -48.7 -36.59 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.89 1.276 . . . . 6.0 112.908 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.9 mt-10 -92.62 -20.01 21.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.315 1.968 . . . . 6.0 116.315 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -99.53 -18.0 17.61 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.758 1.392 . . . . 6.0 114.758 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -42.68 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.633 1.173 . . . . 6.0 111.869 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.9 tpp . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 126.159 1.784 . . . . 6.0 114.771 -172.782 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 CA--C 1.554 1.112 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.15 -43.05 26.16 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.882 3.722 . . . . 6.0 114.919 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.54 -48.01 65.41 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.708 0.803 . . . . 6.0 111.804 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.36 -46.38 88.92 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.753 -0.592 . . . . 6.0 110.653 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -50.65 -45.67 58.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.483 1.513 . . . . 6.0 110.515 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -61.67 -44.95 95.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.106 0.963 . . . . 6.0 111.746 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.27 -51.43 69.82 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.692 1.367 . . . . 6.0 114.692 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -41.06 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 120.248 1.386 . . . . 6.0 110.999 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.22 -45.9 79.72 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.553 1.07 . . . . 6.0 112.124 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.18 -47.29 80.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.11 0.964 . . . . 6.0 112.089 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.17 -43.68 97.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.885 1.221 . . . . 6.0 110.696 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -53.42 56.91 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.541 0.736 . . . . 6.0 110.622 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.65 -39.06 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 113.33 0.863 . . . . 6.0 113.33 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.15 -40.24 89.14 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.294 0.952 . . . . 6.0 110.91 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.0 -45.78 84.17 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.896 0.478 . . . . 6.0 110.115 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.81 -35.16 70.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 6.0 112.541 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -69.8 -58.45 3.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.788 0.722 . . . . 6.0 109.887 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.97 64.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.281 . . . . 6.0 113.974 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -53.38 6.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.641 1.976 . . . . 6.0 112.388 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.14 -29.75 18.09 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.517 1.127 . . . . 6.0 112.291 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.13 -37.19 79.31 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.263 1.03 . . . . 6.0 111.285 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 125.696 1.598 . . . . 6.0 112.042 173.554 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.665 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 CA-C-O 119.243 -0.408 . . . . 6.0 111.929 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.665 ' HD2' HD13 ' A' ' 381' ' ' LEU . 71.1 Cg_exo -47.02 -27.65 6.28 Favored 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 125.591 4.194 . . . . 6.0 118.392 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.3 22.23 5.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.232 1.413 . . . . 6.0 113.978 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.76 -50.74 69.59 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.288 -0.882 . . . . 6.0 112.319 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -27.14 66.66 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.676 -1.265 . . . . 6.0 113.4 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -63.3 -50.18 71.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.608 1.563 . . . . 6.0 108.535 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.29 -44.44 83.51 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.376 1.071 . . . . 6.0 112.253 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.51 -43.72 84.45 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 119.277 0.944 . . . . 6.0 111.929 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -65.42 -41.32 93.69 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.526 0.73 . . . . 6.0 111.56 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 13.4 t -64.43 -45.65 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.112 0.965 . . . . 6.0 110.69 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.63 -47.39 78.72 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 6.0 111.883 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.56 -42.8 83.75 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.929 -0.482 . . . . 6.0 110.988 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -60.74 -53.48 56.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.648 0.779 . . . . 6.0 110.531 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.1 mtp -52.66 -38.9 61.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.741 1.616 . . . . 6.0 112.954 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.018 1.327 . . . . 6.0 113.54 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 121.78 0.8 . . . . 6.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.2 61.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.976 1.472 . . . . 6.0 114.976 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.22 -20.55 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.27 1.211 . . . . 6.0 114.27 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.07 -65.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.177 1.353 . . . . 6.0 112.576 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.82 79.07 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.264 0.838 . . . . 6.0 113.264 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.443 ' HA ' HD22 ' B' ' 798' ' ' LEU . 20.7 p -65.6 -51.89 56.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.051 0.387 . . . . 6.0 110.643 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.0 m -52.67 -47.53 67.09 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.689 1.196 . . . . 6.0 112.361 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -55.3 -28.37 53.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.978 1.311 . . . . 6.0 113.321 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -90.17 -44.74 9.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.58 1.152 . . . . 6.0 112.044 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.47 -43.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.414 1.486 . . . . 6.0 114.095 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.53 -48.07 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.406 1.482 . . . . 6.0 109.969 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.1 m -56.75 -24.31 49.05 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.317 1.599 . . . . 6.0 115.317 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -67.47 -56.43 9.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.28 1.4 . . . . 6.0 109.71 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -58.25 -37.39 74.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.711 1.204 . . . . 6.0 112.774 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -61.01 -15.66 34.46 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.619 1.34 . . . . 6.0 114.619 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -128.78 -27.75 2.53 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.026 1.862 . . . . 6.0 116.026 -174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.3 t -66.1 142.38 57.79 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.835 1.198 . . . . 6.0 113.216 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.7 p -130.42 -7.13 4.21 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.335 1.854 . . . . 6.0 113.203 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -63.23 104.76 0.63 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.119 2.568 . . . . 6.0 111.091 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -63.92 -1.56 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.86 1.8 . . . . 6.0 115.86 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -132.87 20.14 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.624 1.57 . . . . 6.0 112.246 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.8 t -55.9 128.17 69.98 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.757 1.623 . . . . 6.0 111.428 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.93 -27.76 36.71 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.932 2.421 . . . . 6.0 114.929 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.33 -47.46 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 116.862 -1.542 . . . . 6.0 111.082 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.524 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 21.9 m -69.67 -24.05 63.55 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.596 1.998 . . . . 6.0 114.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.5 tp -40.4 -55.76 4.01 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-N 121.909 2.141 . . . . 6.0 114.728 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.84 -41.37 76.19 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 121.996 1.797 . . . . 6.0 113.057 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.96 -39.73 87.31 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.264 1.393 . . . . 6.0 112.059 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.524 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.2 mttt -63.81 -40.57 96.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.701 1.2 . . . . 6.0 109.04 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.59 -44.99 80.7 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.203 1.001 . . . . 6.0 111.119 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 127.456 2.302 . . . . 6.0 114.296 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 108.055 -1.091 . . . . 6.0 108.055 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.33 157.79 20.76 Favored 'Trans proline' 0 CA--C 1.548 1.211 0 C-N-CA 123.491 2.794 . . . . 6.0 112.835 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -70.22 101.96 2.0 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.938 1.295 . . . . 6.0 114.005 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -34.92 127.16 0.52 Allowed Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 129.343 3.057 . . . . 6.0 112.9 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.2 129.43 33.4 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.065 2.51 . . . . 6.0 114.267 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -47.94 -42.83 28.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.304 1.841 . . . . 6.0 114.903 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.79 -27.71 66.98 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.799 0.839 . . . . 6.0 113.037 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.04 -26.16 20.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.424 1.09 . . . . 6.0 112.804 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.94 -36.34 65.18 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.905 1.229 . . . . 6.0 111.905 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.79 -11.46 60.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.467 1.507 . . . . 6.0 114.724 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.6 mt -70.42 135.66 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.806 1.184 . . . . 6.0 110.898 177.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -73.3 108.41 6.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.643 -0.503 . . . . 6.0 109.643 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.6 p -90.71 -9.14 47.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.954 1.301 . . . . 6.0 114.406 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.67 -45.62 99.63 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.399 1.454 . . . . 6.0 112.995 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -61.95 -34.17 81.85 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.545 2.164 . . . . 6.0 112.214 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.7 -16.81 63.43 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.398 1.079 . . . . 6.0 113.664 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.84 -22.92 16.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.308 1.225 . . . . 6.0 114.308 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.46 -28.46 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.329 0.968 . . . . 6.0 111.71 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.75 -11.93 49.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.106 1.763 . . . . 6.0 114.221 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -48.11 -27.32 2.27 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.797 2.147 . . . . 6.0 116.797 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.03 31.18 3.28 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.606 1.562 . . . . 6.0 112.425 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.2 m -128.86 17.3 6.25 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.887 1.81 . . . . 6.0 115.887 -173.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.77 149.91 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.074 0.852 . . . . 6.0 112.536 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -119.14 86.51 2.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.956 2.102 . . . . 6.0 106.878 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.3 mt -38.62 -47.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.568 1.947 . . . . 6.0 113.038 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 4.2 mp0 -88.03 -20.08 26.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 116.506 2.039 . . . . 6.0 116.506 -174.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -86.15 -25.77 25.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -42.36 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.589 1.956 . . . . 6.0 113.495 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 51.3 mmm . . . . . 0 CA--C 1.55 0.976 0 C-N-CA 128.071 2.549 . . . . 6.0 116.946 -169.633 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 CA--C 1.552 1.053 0 CA-C-O 118.655 -0.688 . . . . 6.0 112.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -54.16 -42.04 70.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.398 2.732 . . . . 6.0 114.599 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -43.3 67.22 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.684 -0.635 . . . . 6.0 111.997 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -62.41 -46.13 90.0 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.844 0.747 . . . . 6.0 109.588 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 34.2 ttp85 -50.08 -47.12 53.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.445 1.498 . . . . 6.0 110.611 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -66.02 -33.65 76.29 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.659 1.184 . . . . 6.0 113.754 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.23 -50.95 62.05 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.541 1.519 . . . . 6.0 112.776 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.49 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.955 1.252 . . . . 6.0 110.923 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.87 -47.27 80.84 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.601 1.092 . . . . 6.0 111.638 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.05 -43.69 74.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 117.949 -1.024 . . . . 6.0 113.587 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.36 -45.16 94.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.39 1.45 . . . . 6.0 110.463 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 53.7 tp -53.63 -51.49 62.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.415 1.086 . . . . 6.0 111.481 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.488 HG21 HG23 ' B' ' 812' ' ' ILE . 28.0 t -65.35 -40.53 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.72 0.637 . . . . 6.0 112.72 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -59.03 -41.01 86.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.546 0.612 . . . . 6.0 111.657 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.79 -47.67 79.97 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.867 0.758 . . . . 6.0 110.843 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.52 -39.39 76.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.578 0.751 . . . . 6.0 111.908 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -64.46 -58.32 6.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.452 0.569 . . . . 6.0 110.12 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.43 65.06 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.694 1.368 . . . . 6.0 114.694 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -54.51 -43.33 71.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.476 1.11 . . . . 6.0 111.94 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -88.9 -34.27 17.01 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.233 1.413 . . . . 6.0 111.584 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -61.59 -37.22 83.1 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.001 0.819 . . . . 6.0 112.155 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 CA--C 1.544 0.72 0 O-C-N 120.556 -1.34 . . . . 6.0 111.06 173.598 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.741 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.556 1.178 0 N-CA-C 108.18 -1.045 . . . . 6.0 108.18 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.741 ' HD2' HD13 ' A' ' 381' ' ' LEU . 13.7 Cg_exo -39.63 -30.55 0.34 Allowed 'Trans proline' 0 CA--C 1.54 0.8 1 C-N-CA 125.831 4.354 . . . . 6.0 119.299 -177.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.16 22.07 4.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.794 1.237 . . . . 6.0 113.189 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.16 -50.34 67.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.892 0.877 . . . . 6.0 110.929 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -36.38 76.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.287 1.035 . . . . 6.0 112.781 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 89.4 m -64.02 -49.38 72.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.404 1.082 . . . . 6.0 109.714 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.6 mmt -64.57 -46.03 84.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.217 0.607 . . . . 6.0 111.399 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.289 1.036 . . . . 6.0 111.517 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -63.74 -45.48 89.67 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.745 0.818 . . . . 6.0 111.337 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.8 -39.1 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.346 1.059 . . . . 6.0 111.61 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.7 -45.65 67.77 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.673 1.589 . . . . 6.0 112.128 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -64.5 -37.18 86.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.193 0.197 . . . . 6.0 110.676 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.81 -49.69 76.47 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.621 -0.674 . . . . 6.0 109.213 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 68.0 mtp -51.72 -39.61 58.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.356 1.463 . . . . 6.0 111.952 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 108.837 -0.801 . . . . 6.0 108.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.86 29.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.062 1.875 . . . . 6.0 116.062 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -90.08 -25.01 20.98 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.316 1.228 . . . . 6.0 114.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 40.1 t -59.58 -65.35 0.69 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.482 1.513 . . . . 6.0 113.378 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.17 69.46 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.627 -0.671 . . . . 6.0 112.465 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.45 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.1 m -67.65 -47.63 68.98 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.992 -0.443 . . . . 6.0 111.37 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -57.5 -45.7 84.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.256 1.423 . . . . 6.0 111.541 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -50.65 -43.57 57.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.123 0.969 . . . . 6.0 112.393 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -79.11 -43.61 23.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.767 0.827 . . . . 6.0 111.976 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -56.12 -44.44 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.153 0.981 . . . . 6.0 112.407 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 415' ' ' ILE . 74.8 mt -54.2 -58.28 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.552 1.141 . . . . 6.0 110.103 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -54.18 -27.2 32.41 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.77 -63.36 1.08 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.091 0.86 . . . . 6.0 110.688 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -56.01 -41.01 74.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.236 1.014 . . . . 6.0 112.938 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -65.15 -9.88 26.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.504 1.522 . . . . 6.0 114.303 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -130.54 -27.35 2.17 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.848 1.796 . . . . 6.0 115.848 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.87 113.05 2.83 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.06 1.3 . . . . 6.0 112.902 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.9 p -90.75 -9.81 45.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.958 1.303 . . . . 6.0 113.632 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.406 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 65.9 mtm180 -62.74 116.24 5.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 6.0 112.996 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.2 -4.26 20.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.548 0.739 . . . . 6.0 112.805 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.2 14.73 7.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.671 1.588 . . . . 6.0 114.163 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' CYS . . . . . 0.406 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 17.0 t -56.7 130.56 77.75 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.325 1.05 . . . . 6.0 111.961 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -57.5 -19.4 36.28 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.456 2.771 . . . . 6.0 115.343 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.26 -39.22 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.791 1.178 . . . . 6.0 111.372 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 78.6 m -74.71 -28.01 60.62 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.596 1.544 . . . . 6.0 113.985 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.3 tp -41.14 -54.95 5.38 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 121.225 1.83 . . . . 6.0 115.144 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -59.84 -32.62 95.66 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 CA-C-N 121.735 1.656 . . . . 6.0 113.042 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -38.78 61.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.284 1.402 . . . . 6.0 111.589 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -63.29 -31.41 72.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.91 1.284 . . . . 6.0 109.696 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -71.43 -55.75 7.3 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.453 -0.943 . . . . 6.0 108.453 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 126.286 1.834 . . . . 6.0 115.045 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 120.949 0.404 . . . . 6.0 111.912 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.78 156.75 41.39 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.026 2.484 . . . . 6.0 111.015 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.53 100.27 2.21 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.04 1.126 . . . . 6.0 114.04 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -33.49 126.72 0.43 Allowed Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 129.862 3.265 . . . . 6.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -56.16 129.88 37.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.825 2.35 . . . . 6.0 114.169 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -50.12 -41.75 49.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.764 1.626 . . . . 6.0 115.25 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -66.87 -24.58 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.27 -0.893 . . . . 6.0 113.003 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.13 -25.15 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.418 1.087 . . . . 6.0 112.603 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.05 -37.53 71.93 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 120.176 1.353 . . . . 6.0 111.519 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.85 -14.9 62.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.609 1.564 . . . . 6.0 114.254 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.0 mt -70.06 137.27 51.1 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.606 1.094 . . . . 6.0 111.22 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -73.26 103.75 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.57 0.748 . . . . 6.0 109.753 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.4 p -86.06 -9.71 56.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.671 1.188 . . . . 6.0 113.698 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.12 -49.32 94.65 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 120.217 1.372 . . . . 6.0 114.107 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.23 -23.68 28.37 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-N 121.57 1.596 . . . . 6.0 111.052 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.98 -16.93 64.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.455 1.102 . . . . 6.0 113.283 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.07 -18.51 5.48 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.064 1.505 . . . . 6.0 115.064 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 17.8 pt -67.91 -32.7 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 119.077 0.853 . . . . 6.0 111.391 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.51 -15.53 56.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.118 1.767 . . . . 6.0 114.394 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -27.86 0.21 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 117.875 2.546 . . . . 6.0 117.875 -172.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 35.25 1.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.294 1.438 . . . . 6.0 112.053 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.0 m -128.37 19.01 6.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.457 1.651 . . . . 6.0 115.457 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.63 155.16 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 6.0 111.852 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -122.95 86.16 2.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.569 1.947 . . . . 6.0 107.827 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.488 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.84 -42.41 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.72 1.608 . . . . 6.0 112.93 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.64 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 66.7 mt-10 -85.16 -19.98 30.95 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.557 1.688 . . . . 6.0 115.557 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.3 -19.69 21.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.518 1.508 . . . . 6.0 114.884 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -42.87 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.16 0.984 . . . . 6.0 111.866 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 816' ' ' MET . . . . . 0.447 ' HB2' ' HB1' ' A' ' 435' ' ' ALA . 3.8 tpp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.372 1.069 . . . . 6.0 113.812 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 119.326 -0.368 . . . . 6.0 110.432 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.93 -29.58 27.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.718 3.612 . . . . 6.0 117.294 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.92 -47.78 8.3 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.514 1.052 . . . . 6.0 112.017 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -38.27 89.44 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.974 -0.454 . . . . 6.0 110.582 176.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.45 -44.99 81.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.425 1.49 . . . . 6.0 112.088 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.0 -39.54 95.09 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.012 0.823 . . . . 6.0 111.803 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.28 -49.06 78.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.004 1.112 . . . . 6.0 114.004 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -40.82 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.033 1.288 . . . . 6.0 110.94 175.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -57.43 -44.89 85.07 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.674 1.125 . . . . 6.0 112.682 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -65.95 -49.15 68.93 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.655 1.182 . . . . 6.0 111.769 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.49 -44.94 95.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.171 1.35 . . . . 6.0 110.512 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.11 -54.38 36.49 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.096 0.959 . . . . 6.0 111.613 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.443 HG21 HG23 ' B' ' 812' ' ' ILE . 25.1 t -64.21 -38.95 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.863 0.69 . . . . 6.0 112.863 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.05 -38.85 80.34 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.878 0.763 . . . . 6.0 111.328 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.5 -46.78 75.09 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.768 0.713 . . . . 6.0 111.28 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.27 -35.6 69.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.101 0.96 . . . . 6.0 111.347 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -71.17 -60.18 2.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.183 0.593 . . . . 6.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.66 -34.51 58.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.18 -58.75 7.28 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.32 1.418 . . . . 6.0 111.308 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -66.09 -32.79 74.46 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.678 -0.639 . . . . 6.0 111.724 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 366' ' ' CYS . . . . . 0.404 ' CB ' ' HZ1' ' A' ' 388' ' ' LYS . 37.4 t -63.62 -39.97 95.71 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.568 0.747 . . . . 6.0 111.749 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 CA--C 1.543 0.706 0 O-C-N 120.695 -1.253 . . . . 6.0 110.031 174.633 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.636 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 119.116 -0.469 . . . . 6.0 111.2 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.636 ' HD2' HD13 ' A' ' 381' ' ' LEU . 58.6 Cg_exo -45.94 -30.59 7.24 Favored 'Trans proline' 0 CA--C 1.541 0.854 1 C-N-CA 125.49 4.127 . . . . 6.0 118.608 -178.153 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.45 23.5 5.13 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.98 1.312 . . . . 6.0 112.801 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 384' ' ' CYS . . . . . 0.446 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.47 -46.32 69.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.126 1.37 . . . . 6.0 110.989 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -34.41 77.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.044 1.337 . . . . 6.0 113.289 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.9 m -62.27 -48.1 81.4 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.821 1.248 . . . . 6.0 108.903 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -65.09 -46.45 81.06 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.709 0.803 . . . . 6.0 111.916 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 388' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 56.7 mttp -53.52 -41.53 66.45 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 119.933 1.242 . . . . 6.0 112.384 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -66.0 -46.89 76.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.775 0.83 . . . . 6.0 111.71 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.39 -39.75 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.383 1.073 . . . . 6.0 111.514 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.3 mt -66.77 -49.97 64.21 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.089 1.756 . . . . 6.0 111.952 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -59.53 -42.08 91.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.78 -0.575 . . . . 6.0 110.846 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -59.23 -53.06 62.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.571 0.748 . . . . 6.0 110.432 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -35.72 47.92 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.949 1.7 . . . . 6.0 113.995 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.135 0.974 . . . . 6.0 113.082 -179.813 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 107.825 -1.176 . . . . 6.0 107.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.99 17.42 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.745 1.758 . . . . 6.0 115.745 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.02 -14.77 33.23 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.659 1.355 . . . . 6.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.86 -65.36 0.73 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.208 1.367 . . . . 6.0 111.442 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.94 -33.47 62.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.977 0.732 . . . . 6.0 112.977 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.2 p -70.51 -53.76 14.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.108 -0.472 . . . . 6.0 110.995 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 70.4 m -51.96 -46.95 64.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.169 0.988 . . . . 6.0 112.816 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -52.78 -34.57 53.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.637 1.975 . . . . 6.0 113.22 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -90.0 -42.43 11.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.963 1.305 . . . . 6.0 112.626 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.82 -45.41 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.898 1.279 . . . . 6.0 112.808 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.53 -51.3 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.426 1.49 . . . . 6.0 111.126 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.3 m -56.57 -31.0 63.8 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.856 1.428 . . . . 6.0 114.856 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -63.21 -57.5 10.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.162 0.892 . . . . 6.0 110.705 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -56.74 -32.62 65.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.352 1.461 . . . . 6.0 112.986 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -71.71 -9.95 59.04 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.861 1.43 . . . . 6.0 114.861 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -127.78 -29.57 2.59 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.19 1.552 . . . . 6.0 115.19 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.7 t -68.64 140.29 55.49 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.465 1.029 . . . . 6.0 112.779 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 59.8 p -132.0 -7.19 3.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.887 1.675 . . . . 6.0 113.419 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.65 116.78 6.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.612 1.565 . . . . 6.0 110.087 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.28 -22.59 66.3 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.801 0.667 . . . . 6.0 112.801 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -102.91 13.91 33.21 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.88 1.067 . . . . 6.0 113.88 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.74 126.2 79.49 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 105.33 -2.1 . . . . 6.0 105.33 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.73 -39.16 35.83 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.775 1.65 . . . . 6.0 111.281 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.78 -52.13 18.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.591 1.156 . . . . 6.0 110.938 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.671 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.8 m -69.77 -31.47 69.43 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.744 1.757 . . . . 6.0 115.744 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 59.4 tp -41.25 -53.3 6.85 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 120.8 1.636 . . . . 6.0 115.32 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.05 -38.26 88.39 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 CA-C-N 122.32 1.864 . . . . 6.0 113.124 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.35 -42.06 72.34 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.38 1.445 . . . . 6.0 111.519 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.671 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 36.3 mttt -61.63 -36.4 80.67 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.781 1.232 . . . . 6.0 109.427 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -69.56 -48.17 61.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.85 0.86 . . . . 6.0 110.442 172.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 126.941 2.096 . . . . 6.0 114.197 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 114.873 1.434 . . . . 6.0 114.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 160.28 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.768 2.312 . . . . 6.0 113.227 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.68 113.48 3.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.902 1.681 . . . . 6.0 113.692 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.28 126.61 78.87 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 125.858 1.663 . . . . 6.0 110.567 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -56.27 128.01 28.37 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.451 2.101 . . . . 6.0 113.445 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -48.41 -45.22 35.77 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.587 1.555 . . . . 6.0 114.354 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.06 -24.02 67.34 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.672 0.989 . . . . 6.0 113.672 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.2 -24.16 21.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.262 1.025 . . . . 6.0 113.103 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -56.06 -39.59 72.26 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 120.254 1.388 . . . . 6.0 111.702 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.26 -16.01 64.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.415 1.486 . . . . 6.0 114.497 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 34.5 mt -68.74 128.14 35.6 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.559 1.072 . . . . 6.0 110.857 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -69.98 104.6 2.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.613 0.765 . . . . 6.0 110.118 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.56 -10.3 57.53 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.61 -49.92 88.49 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.495 1.498 . . . . 6.0 114.354 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.4 -22.57 28.99 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 CA-C-N 121.418 1.542 . . . . 6.0 111.818 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 30.9 mtt -67.43 -16.67 64.36 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.382 1.073 . . . . 6.0 113.108 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.79 -22.17 8.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.809 1.411 . . . . 6.0 114.809 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 29.8 pt -62.56 -30.93 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 119.389 0.995 . . . . 6.0 111.672 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -84.78 -10.18 57.46 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.413 1.885 . . . . 6.0 114.334 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -48.63 -22.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 117.31 2.337 . . . . 6.0 117.31 -173.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.07 33.87 1.36 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.151 1.38 . . . . 6.0 112.377 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -131.66 22.39 4.66 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.341 1.978 . . . . 6.0 116.341 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -142.08 151.36 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.214 0.915 . . . . 6.0 113.029 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -116.85 82.89 1.88 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.043 2.137 . . . . 6.0 108.856 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -49.05 -36.03 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.963 1.305 . . . . 6.0 112.459 -174.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.8 mt-10 -93.42 -19.78 20.96 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.476 2.028 . . . . 6.0 116.476 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -99.1 -17.98 17.94 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.224 1.374 . . . . 6.0 114.392 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.509 1.123 . . . . 6.0 111.479 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 20.3 tpp . . . . . 0 CA--C 1.548 0.892 0 C-N-CA 126.024 1.73 . . . . 6.0 114.33 -173.796 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 CA--C 1.555 1.157 0 N-CA-C 115.646 1.721 . . . . 6.0 115.646 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.47 -41.04 23.41 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.96 3.773 . . . . 6.0 115.977 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.65 -47.92 36.3 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.351 -0.843 . . . . 6.0 112.0 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -40.99 95.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.711 -0.618 . . . . 6.0 109.886 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -54.78 -46.22 74.4 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.89 1.676 . . . . 6.0 110.755 173.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -63.87 -33.59 76.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.173 0.989 . . . . 6.0 112.362 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.04 -46.97 72.81 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.63 1.104 . . . . 6.0 113.563 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.39 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.5 1.5 . . . . 6.0 111.056 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.42 -48.32 71.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.371 0.987 . . . . 6.0 112.531 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -67.04 -42.53 84.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.176 -0.916 . . . . 6.0 112.748 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.909 1.232 . . . . 6.0 110.758 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.57 -57.01 12.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.877 0.871 . . . . 6.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.405 HG21 HG23 ' B' ' 812' ' ' ILE . 33.3 t -59.71 -40.72 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 381' ' ' LEU . 11.3 mt -59.98 -39.27 85.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.94 0.791 . . . . 6.0 111.736 176.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.45 -45.39 83.98 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.067 0.849 . . . . 6.0 110.688 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.18 -44.46 75.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.454 0.702 . . . . 6.0 111.342 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -64.39 -58.82 5.38 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.788 0.435 . . . . 6.0 110.471 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.19 -38.08 56.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.57 1.693 . . . . 6.0 115.57 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -58.4 -59.89 4.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.839 1.199 . . . . 6.0 111.12 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -68.58 -32.11 71.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.831 -0.604 . . . . 6.0 111.959 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.7 t -61.78 -40.12 94.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.859 0.754 . . . . 6.0 111.044 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? . . . . . 0 CA--C 1.538 0.516 0 O-C-N 120.854 -1.154 . . . . 6.0 109.474 173.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.652 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.026 0 CA-C-O 118.996 -0.525 . . . . 6.0 111.291 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.652 ' HD2' HD13 ' A' ' 381' ' ' LEU . 39.7 Cg_exo -43.29 -30.34 2.24 Favored 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.039 4.493 . . . . 6.0 118.269 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -131.19 21.26 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.721 1.208 . . . . 6.0 113.711 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 -47.69 65.42 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.377 -0.827 . . . . 6.0 111.652 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -34.83 75.21 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.565 1.146 . . . . 6.0 113.057 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.3 m -64.7 -50.59 66.35 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.482 1.113 . . . . 6.0 108.907 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -45.21 87.08 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.082 0.953 . . . . 6.0 111.133 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -56.22 -42.11 76.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.189 0.996 . . . . 6.0 112.03 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -65.52 -44.12 87.9 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.36 0.664 . . . . 6.0 111.704 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.99 -42.08 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.112 0.965 . . . . 6.0 110.965 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.52 -49.03 70.47 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.871 1.668 . . . . 6.0 112.163 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.83 -42.55 89.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.826 -0.547 . . . . 6.0 110.757 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -59.49 -53.81 53.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.541 0.737 . . . . 6.0 110.434 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 60.7 mtp -52.58 -35.27 53.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.122 1.769 . . . . 6.0 113.976 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 124.41 1.084 . . . . 6.0 113.272 -179.808 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.932 -1.136 . . . . 6.0 107.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.62 68.55 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.495 1.665 . . . . 6.0 115.495 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -82.99 -27.32 30.51 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.252 1.205 . . . . 6.0 114.252 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.08 -64.86 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.734 1.614 . . . . 6.0 113.005 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.63 78.2 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.89 0.7 . . . . 6.0 112.89 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.469 ' HA ' HD22 ' B' ' 798' ' ' LEU . 71.9 m -66.58 -45.32 79.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 122.129 -0.357 . . . . 6.0 111.565 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.9 m -59.39 -45.35 91.72 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.754 1.221 . . . . 6.0 111.722 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -39.09 33.98 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.988 1.715 . . . . 6.0 112.212 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -85.88 -41.58 14.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.72 1.208 . . . . 6.0 112.239 176.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -41.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.372 0.987 . . . . 6.0 112.555 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.31 -47.73 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.726 1.611 . . . . 6.0 110.45 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.1 t -54.74 -30.88 57.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.467 1.284 . . . . 6.0 114.467 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -68.49 -59.66 2.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.382 0.992 . . . . 6.0 111.964 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.91 -30.69 69.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.861 0.865 . . . . 6.0 112.392 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.89 -13.27 61.52 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.343 1.457 . . . . 6.0 114.383 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -134.16 -26.12 1.51 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.255 1.946 . . . . 6.0 116.255 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.0 t -64.47 149.66 48.1 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.868 1.213 . . . . 6.0 113.74 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 71.2 p -136.46 -3.49 2.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.541 1.936 . . . . 6.0 113.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -63.66 113.57 3.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.045 1.338 . . . . 6.0 111.97 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -68.49 -5.0 17.01 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.17 0.804 . . . . 6.0 113.17 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -128.55 15.95 6.5 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.402 1.881 . . . . 6.0 113.501 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.11 129.36 79.07 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.523 1.129 . . . . 6.0 109.225 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.09 -44.94 42.09 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.658 2.239 . . . . 6.0 111.635 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.44 -52.87 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.801 1.24 . . . . 6.0 112.001 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.479 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 33.6 m -70.13 -27.22 64.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -42.79 -53.27 10.14 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 120.917 1.689 . . . . 6.0 114.835 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.86 -35.75 98.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 CA-C-N 122.022 1.758 . . . . 6.0 113.353 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.21 -41.53 61.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.708 1.595 . . . . 6.0 111.732 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.479 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 45.5 mttt -63.99 -28.16 69.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.087 1.355 . . . . 6.0 110.353 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.3 -46.37 16.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.883 1.273 . . . . 6.0 109.849 171.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.552 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.469 0.523 0 C-N-CA 125.834 1.654 . . . . 6.0 113.056 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 CA--C 1.547 0.851 0 CA-C-O 118.991 -0.528 . . . . 6.0 111.845 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.41 154.88 33.03 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.206 2.604 . . . . 6.0 112.892 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.0 106.66 1.08 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.814 1.245 . . . . 6.0 112.766 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.23 127.17 29.04 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 127.36 2.264 . . . . 6.0 110.831 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -52.17 124.77 15.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.236 2.624 . . . . 6.0 113.54 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -51.04 -37.64 46.61 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.464 1.283 . . . . 6.0 114.464 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.08 -28.79 69.7 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.974 0.91 . . . . 6.0 112.408 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.09 -28.18 19.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.521 1.129 . . . . 6.0 112.939 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -56.27 -37.49 69.9 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 120.319 1.418 . . . . 6.0 111.882 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -70.45 -13.22 62.03 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.102 1.361 . . . . 6.0 114.277 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.1 mt -68.15 132.37 47.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.82 1.191 . . . . 6.0 111.009 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.37 103.55 3.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.759 0.823 . . . . 6.0 109.297 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -5.19 59.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.667 1.587 . . . . 6.0 115.154 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.74 -42.96 98.21 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 114.35 1.241 . . . . 6.0 114.35 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.2 -26.87 12.18 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 122.11 1.789 . . . . 6.0 111.128 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -17.53 63.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 6.0 112.861 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -50.56 -24.33 3.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.601 1.334 . . . . 6.0 114.601 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.7 pt -68.91 -29.3 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 118.959 0.8 . . . . 6.0 112.348 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -83.53 -10.91 58.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.276 1.83 . . . . 6.0 114.038 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.38 -27.0 0.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.138 2.644 . . . . 6.0 118.138 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -147.8 37.44 0.89 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.434 1.015 . . . . 6.0 111.687 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.7 m -123.5 21.79 9.32 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.996 1.318 . . . . 6.0 114.068 -174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.9 t -143.6 153.96 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.477 1.111 . . . . 6.0 111.423 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -118.72 85.93 2.45 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.225 1.81 . . . . 6.0 107.65 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.7 -36.41 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.735 1.214 . . . . 6.0 111.885 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.0 mt-10 -90.51 -19.98 23.19 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.282 1.956 . . . . 6.0 116.282 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -98.91 -17.51 18.33 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.536 1.516 . . . . 6.0 114.992 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -39.78 85.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 6.0 110.738 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 125.341 1.456 . . . . 6.0 113.092 -177.336 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 CA--C 1.555 1.165 0 N-CA-C 113.581 0.956 . . . . 6.0 113.581 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.88 -42.64 65.0 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.031 3.154 . . . . 6.0 115.999 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.43 -47.36 67.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.289 -0.882 . . . . 6.0 111.435 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -41.34 98.73 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.851 0.46 . . . . 6.0 110.36 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -54.8 -47.62 73.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.063 1.345 . . . . 6.0 110.863 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.466 1.106 . . . . 6.0 112.431 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.01 -47.49 61.91 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.958 1.096 . . . . 6.0 113.958 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -39.0 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 120.368 1.44 . . . . 6.0 110.459 174.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.38 -48.17 77.43 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.131 0.878 . . . . 6.0 112.867 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -68.09 -44.22 76.74 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.18 -0.914 . . . . 6.0 112.462 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.87 -45.78 90.94 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.838 1.199 . . . . 6.0 110.597 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.63 -58.47 6.27 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.199 0.999 . . . . 6.0 110.663 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.458 HG21 HG23 ' B' ' 812' ' ' ILE . 25.9 t -60.23 -40.05 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 113.398 0.888 . . . . 6.0 113.398 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.453 HD21 HD12 ' A' ' 381' ' ' LEU . 11.1 mt -58.72 -38.06 77.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.794 0.725 . . . . 6.0 111.61 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.11 -44.51 79.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.635 0.652 . . . . 6.0 110.541 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.63 -44.02 76.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.708 0.403 . . . . 6.0 110.924 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -64.63 -57.48 8.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.929 0.491 . . . . 6.0 111.069 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.44 -37.12 62.28 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.073 1.138 . . . . 6.0 114.073 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -55.98 -54.06 49.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.515 0.726 . . . . 6.0 111.05 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -71.47 -35.46 70.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.511 0.724 . . . . 6.0 111.707 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 10.1 t -61.04 -39.74 90.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 119.615 1.098 . . . . 6.0 111.705 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? . . . . . 0 CA--C 1.547 0.841 0 O-C-N 120.937 -1.102 . . . . 6.0 110.678 174.257 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.554 1.098 0 CA-C-O 119.095 -0.479 . . . . 6.0 111.464 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 381' ' ' LEU . 44.4 Cg_exo -44.09 -30.67 3.49 Favored 'Trans proline' 0 CA--C 1.54 0.821 1 C-N-CA 126.039 4.493 . . . . 6.0 118.337 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -131.36 22.74 4.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.955 1.302 . . . . 6.0 113.027 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 384' ' ' CYS . . . . . 0.421 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.13 -48.56 67.81 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.202 -0.936 . . . . 6.0 112.298 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -33.94 73.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.994 0.918 . . . . 6.0 112.896 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 71.0 m -63.4 -50.06 71.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.704 1.201 . . . . 6.0 108.76 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -44.85 83.84 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 6.0 111.67 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 388' ' ' LYS . . . . . 0.421 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 44.5 mttp -55.9 -43.63 77.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.694 1.134 . . . . 6.0 111.626 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -65.01 -43.47 92.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.43 0.692 . . . . 6.0 111.809 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.26 -41.77 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.812 0.845 . . . . 6.0 110.655 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.41 -49.47 69.11 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.053 1.341 . . . . 6.0 111.959 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -62.02 -38.89 90.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.209 0.458 . . . . 6.0 111.675 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -59.73 -49.49 77.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.301 -0.629 . . . . 6.0 109.301 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.4 mtp -53.32 -38.17 62.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.033 1.333 . . . . 6.0 111.465 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 108.032 -1.099 . . . . 6.0 108.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.29 -41.84 60.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.334 1.605 . . . . 6.0 115.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -80.15 -29.45 38.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.976 1.102 . . . . 6.0 113.976 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.27 -65.08 0.67 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.177 1.391 . . . . 6.0 112.497 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.8 70.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.451 ' HA ' HD22 ' B' ' 798' ' ' LEU . 66.6 m -70.06 -44.75 68.49 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.993 -0.442 . . . . 6.0 111.729 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.6 m -59.92 -47.56 85.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.563 1.145 . . . . 6.0 111.43 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -49.04 -38.34 23.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.584 1.954 . . . . 6.0 112.325 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -82.54 -43.78 16.7 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.461 1.104 . . . . 6.0 112.152 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.2 tt -55.66 -45.71 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.817 1.247 . . . . 6.0 113.701 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 16.9 mt -57.34 -47.99 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.47 1.508 . . . . 6.0 111.486 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.1 m -56.18 -27.18 53.46 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.517 1.303 . . . . 6.0 114.517 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.38 -61.85 1.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.146 0.885 . . . . 6.0 110.829 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -55.66 -37.48 68.33 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.229 1.412 . . . . 6.0 113.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -65.68 -9.95 32.0 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.884 1.274 . . . . 6.0 114.055 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -133.44 -27.52 1.55 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.202 1.927 . . . . 6.0 116.202 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 17.8 t -64.73 147.08 53.81 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 120.165 1.348 . . . . 6.0 113.703 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.1 p -138.29 -6.03 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.333 1.853 . . . . 6.0 113.928 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.41 117.31 5.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.319 1.448 . . . . 6.0 111.073 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -67.9 -7.95 32.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -126.84 15.58 7.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.843 1.257 . . . . 6.0 113.256 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.3 t -56.53 125.66 67.5 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 107.137 -1.431 . . . . 6.0 107.137 173.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.78 -43.21 32.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.188 1.925 . . . . 6.0 112.0 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.19 -53.51 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.324 1.05 . . . . 6.0 111.048 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.545 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.5 m -68.45 -28.36 66.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.102 1.519 . . . . 6.0 115.102 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.0 tp -42.42 -54.11 8.36 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 121.308 1.867 . . . . 6.0 114.933 -174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.93 -35.82 97.94 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 CA-C-N 122.387 1.888 . . . . 6.0 113.368 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.15 -36.3 72.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.475 1.489 . . . . 6.0 111.284 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.545 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.0 mttt -71.36 -24.05 62.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.162 1.785 . . . . 6.0 110.321 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.1 -34.39 26.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.435 1.494 . . . . 6.0 110.08 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.694 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.548 0.879 0 C-N-CA 126.126 1.77 . . . . 6.0 107.489 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 CA--C 1.542 0.66 0 N-CA-C 109.32 -0.622 . . . . 6.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.62 161.15 10.32 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.69 2.26 . . . . 6.0 113.692 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -63.86 109.57 1.8 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.111 1.764 . . . . 6.0 113.721 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 791' ' ' LEU . . . . . 0.462 HD23 ' HD2' ' B' ' 792' ' ' PRO . 1.6 tt -57.54 123.53 62.71 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 126.138 1.775 . . . . 6.0 111.188 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 792' ' ' PRO . . . . . 0.462 ' HD2' HD23 ' B' ' 791' ' ' LEU . 11.2 Cg_endo -50.66 128.94 25.41 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.338 2.692 . . . . 6.0 113.343 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -54.13 -35.92 62.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.367 1.247 . . . . 6.0 114.367 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.8 -27.72 63.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.178 0.991 . . . . 6.0 112.658 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.17 -38.11 13.72 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 796' ' ' ARG . . . . . 0.411 ' HB3' HD22 ' B' ' 791' ' ' LEU . 13.8 ptt180 -60.74 -24.45 65.73 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.31 1.414 . . . . 6.0 112.772 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.64 -23.07 65.31 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.465 1.906 . . . . 6.0 113.186 174.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 410' ' ' SER . 53.7 mt -66.25 131.52 46.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.143 0.977 . . . . 6.0 110.71 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -73.2 114.14 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.345 -0.983 . . . . 6.0 108.345 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -1.03 57.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.125 1.77 . . . . 6.0 115.262 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.56 -45.56 99.66 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 120.22 1.373 . . . . 6.0 112.946 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -61.58 -37.23 71.35 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.236 1.958 . . . . 6.0 111.825 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -18.45 61.17 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.84 -24.56 16.07 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.27 1.395 . . . . 6.0 114.378 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 15.9 pt -64.62 -28.51 44.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 119.241 0.928 . . . . 6.0 111.77 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.06 -9.92 54.26 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.902 2.081 . . . . 6.0 114.179 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -43.0 -26.58 0.15 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 118.0 2.592 . . . . 6.0 118.0 -171.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -148.97 41.39 0.92 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.049 1.295 . . . . 6.0 111.868 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.5 m -125.56 22.46 7.62 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.701 1.371 . . . . 6.0 114.701 -174.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.3 t -143.35 155.04 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.174 0.99 . . . . 6.0 111.973 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -122.78 81.43 1.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.311 1.844 . . . . 6.0 109.04 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.22 -40.51 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.481 1.912 . . . . 6.0 113.055 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.694 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.5 mt-10 -87.31 -19.86 27.63 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.49 1.663 . . . . 6.0 115.49 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -97.69 -23.74 15.81 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.61 1.337 . . . . 6.0 114.61 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -42.92 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.72 1.208 . . . . 6.0 111.813 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 21.4 tpp . . . . . 0 CA--C 1.549 0.937 0 C-N-CA 126.205 1.802 . . . . 6.0 113.053 -175.537 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 CA--C 1.555 1.139 0 N-CA-C 115.662 1.727 . . . . 6.0 115.662 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.97 -38.95 32.25 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.856 3.704 . . . . 6.0 115.57 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.28 -50.87 50.69 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.832 0.853 . . . . 6.0 111.197 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -62.03 -44.88 95.76 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.064 0.945 . . . . 6.0 111.085 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -50.89 -42.77 59.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.406 1.482 . . . . 6.0 111.371 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.51 -40.89 89.43 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.676 0.671 . . . . 6.0 112.413 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 807' ' ' ARG . 62.7 mt -58.89 -50.11 75.25 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.942 1.09 . . . . 6.0 113.942 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -41.99 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 120.043 1.292 . . . . 6.0 111.038 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.84 -47.41 74.17 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.58 1.082 . . . . 6.0 112.26 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.85 -47.05 82.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.651 1.18 . . . . 6.0 111.994 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.92 -43.43 95.94 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.741 1.155 . . . . 6.0 111.31 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.56 -55.79 27.86 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.683 0.793 . . . . 6.0 110.325 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.1 -39.62 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.951 0.722 . . . . 6.0 112.951 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 381' ' ' LEU . 13.8 mt -59.98 -40.95 90.88 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.811 0.732 . . . . 6.0 111.502 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.931 0.787 . . . . 6.0 110.377 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.74 -44.77 77.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.05 0.54 . . . . 6.0 111.339 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -62.59 -59.98 4.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.761 0.424 . . . . 6.0 110.337 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.29 -40.43 61.79 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.255 1.576 . . . . 6.0 115.255 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.91 -51.88 67.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.893 0.77 . . . . 6.0 111.754 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -69.92 -33.42 72.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.323 0.649 . . . . 6.0 111.443 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.62 -33.95 77.14 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.532 -0.73 . . . . 6.0 111.238 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 CA--C 1.548 0.892 0 O-C-N 119.973 -1.704 . . . . 6.0 109.603 174.408 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.634 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER . . . . . 0 CA--C 1.552 1.035 0 N-CA-C 112.382 0.512 . . . . 6.0 112.382 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 381' ' ' LEU . 75.9 Cg_exo -46.15 -32.67 10.52 Favored 'Trans proline' 0 C--N 1.354 0.834 1 C-N-CA 125.696 4.264 . . . . 6.0 117.224 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -123.77 18.86 9.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.174 1.39 . . . . 6.0 113.89 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.82 -49.46 68.32 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.526 0.679 . . . . 6.0 110.497 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -31.64 72.88 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 24.2 m -66.16 -51.33 58.83 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.734 1.214 . . . . 6.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -46.54 85.74 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.833 1.253 . . . . 6.0 111.471 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -56.5 -41.63 76.98 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.68 1.127 . . . . 6.0 112.055 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -64.73 -43.8 92.24 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.268 0.627 . . . . 6.0 111.793 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.75 -38.74 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.108 0.963 . . . . 6.0 111.164 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.02 -50.08 51.98 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 125.261 1.425 . . . . 6.0 111.692 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -59.25 -35.97 74.66 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 122.234 0.214 . . . . 6.0 111.423 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.62 -51.91 63.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.774 -0.579 . . . . 6.0 109.527 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.0 mtp -53.82 -34.52 59.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.896 1.278 . . . . 6.0 113.143 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 114.09 1.144 . . . . 6.0 114.09 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 107.935 -1.135 . . . . 6.0 107.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.42 -38.93 66.84 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.469 2.026 . . . . 6.0 116.469 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -88.1 -26.59 22.43 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.119 1.155 . . . . 6.0 114.119 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.15 -63.23 1.22 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.527 1.931 . . . . 6.0 113.7 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.05 87.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.562 0.578 . . . . 6.0 112.562 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.504 ' HA ' HD22 ' B' ' 798' ' ' LEU . 70.3 m -65.8 -46.25 79.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.395 0.278 . . . . 6.0 111.568 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.3 m -57.34 -45.54 84.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.728 1.211 . . . . 6.0 111.564 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.454 ' HB2' HH11 ' A' ' 412' ' ' ARG . 0.0 OUTLIER -49.85 -36.27 26.28 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.901 1.68 . . . . 6.0 112.9 176.346 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -89.97 -41.12 11.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.943 1.297 . . . . 6.0 112.04 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.51 -40.56 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.02 0.928 . . . . 6.0 112.715 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 46.8 mt -60.3 -48.69 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.522 1.529 . . . . 6.0 110.223 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 m -59.19 -25.03 63.61 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.009 1.485 . . . . 6.0 115.009 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -69.18 -54.39 15.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.986 1.266 . . . . 6.0 111.32 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -59.52 -30.58 68.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.009 0.924 . . . . 6.0 112.61 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.49 -15.76 63.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.035 1.334 . . . . 6.0 114.558 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.16 -24.79 2.06 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.899 2.185 . . . . 6.0 116.899 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.26 103.27 1.91 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 120.221 1.373 . . . . 6.0 113.338 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 38.1 p -87.52 -8.16 56.72 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.056 1.342 . . . . 6.0 113.147 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 74.5 mtm180 -62.1 123.69 18.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.622 1.569 . . . . 6.0 112.99 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.76 -3.57 38.89 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.432 0.53 . . . . 6.0 112.432 173.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -125.79 10.23 7.69 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.318 1.599 . . . . 6.0 115.318 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' CYS . . . . . 0.41 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 23.4 t -58.01 132.92 83.72 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.062 0.945 . . . . 6.0 108.97 174.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.22 -43.31 24.24 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.491 2.127 . . . . 6.0 111.661 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.92 -52.46 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.935 1.294 . . . . 6.0 111.157 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 89.9 m -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.216 1.562 . . . . 6.0 115.216 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -59.12 2.14 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 121.047 1.749 . . . . 6.0 114.228 -175.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.67 -40.03 87.69 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.222 1.948 . . . . 6.0 113.002 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.04 -41.6 81.85 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.492 1.496 . . . . 6.0 112.058 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -65.44 -25.95 67.74 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 6.0 110.634 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -81.18 -43.15 19.74 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.461 1.504 . . . . 6.0 109.976 173.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 127.913 2.485 . . . . 6.0 114.249 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 119.032 -0.509 . . . . 6.0 112.359 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.75 157.07 24.94 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.927 2.418 . . . . 6.0 112.417 175.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.05 111.35 2.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.315 1.046 . . . . 6.0 112.969 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.82 124.01 34.1 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.138 2.175 . . . . 6.0 109.767 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -49.66 124.96 13.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.453 2.768 . . . . 6.0 113.291 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -50.05 -38.09 36.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.083 1.353 . . . . 6.0 114.281 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.22 -26.34 65.66 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.542 1.137 . . . . 6.0 113.04 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.05 -25.92 20.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.656 1.183 . . . . 6.0 112.347 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -56.95 -35.34 69.0 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 119.927 1.24 . . . . 6.0 112.213 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.49 -16.32 62.9 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.9 mt -67.34 138.66 56.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.719 1.145 . . . . 6.0 112.354 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 101.87 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.502 0.721 . . . . 6.0 110.223 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 3.0 p -88.27 -9.66 52.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.959 1.304 . . . . 6.0 114.082 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.8 -46.28 99.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 119.934 1.243 . . . . 6.0 113.913 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -23.2 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 CA-C-N 121.557 1.592 . . . . 6.0 111.167 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.8 mtt -66.28 -17.36 64.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.076 0.95 . . . . 6.0 112.934 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -52.09 -24.73 7.31 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.382 1.253 . . . . 6.0 114.382 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -64.49 -28.92 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.11 0.868 . . . . 6.0 112.318 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -82.89 -12.94 56.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.719 1.607 . . . . 6.0 114.092 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 807' ' ' ARG . . . . . 0.427 ' HB2' HD21 ' A' ' 352' ' ' LEU . 39.0 tpt85 -48.76 -26.16 2.21 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.808 2.151 . . . . 6.0 116.808 -174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -138.42 33.6 2.29 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.8 1.24 . . . . 6.0 111.707 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 6.1 m -132.02 21.57 4.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.217 1.562 . . . . 6.0 115.217 -174.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -145.76 153.1 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.127 0.971 . . . . 6.0 112.467 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -119.77 86.29 2.53 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.147 2.179 . . . . 6.0 107.82 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.97 -37.14 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.275 1.43 . . . . 6.0 112.949 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.0 mt-10 -95.3 -19.9 19.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.481 2.03 . . . . 6.0 116.481 -176.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.62 -21.15 19.57 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.419 1.463 . . . . 6.0 114.736 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -41.89 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.638 1.575 . . . . 6.0 112.43 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 54.4 mmm . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 129.214 3.006 . . . . 6.0 115.921 -169.859 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 118.803 -0.618 . . . . 6.0 111.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.61 -42.26 63.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.0 3.133 . . . . 6.0 114.874 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.76 -45.94 73.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.755 0.822 . . . . 6.0 111.576 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -61.08 -47.35 86.71 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.666 -0.646 . . . . 6.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.42 -42.83 64.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.079 1.352 . . . . 6.0 110.961 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -62.29 -44.97 95.29 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.878 0.871 . . . . 6.0 111.483 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.01 -50.43 73.43 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.878 1.436 . . . . 6.0 114.878 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 120.413 1.461 . . . . 6.0 111.13 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.04 -44.88 79.23 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.435 1.016 . . . . 6.0 111.666 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -65.36 -48.26 73.57 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.624 1.17 . . . . 6.0 112.479 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.181 1.355 . . . . 6.0 110.759 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.34 -56.54 19.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.498 0.719 . . . . 6.0 110.348 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.12 -39.2 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 113.276 0.843 . . . . 6.0 113.276 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.483 HD21 HD12 ' A' ' 381' ' ' LEU . 13.1 mt -60.48 -40.15 90.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.98 0.809 . . . . 6.0 111.521 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.33 -44.85 86.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.89 0.768 . . . . 6.0 110.371 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 61.5 mt -57.75 -37.88 74.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.744 0.818 . . . . 6.0 111.957 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -68.04 -57.44 6.13 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.924 0.489 . . . . 6.0 109.738 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.82 -37.95 64.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.355 1.613 . . . . 6.0 115.355 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -58.23 -59.5 5.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.467 1.031 . . . . 6.0 111.064 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.95 -31.83 71.85 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.766 -0.584 . . . . 6.0 111.805 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.8 -36.46 83.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 119.237 0.926 . . . . 6.0 110.955 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 . . . . . 0 CA--C 1.545 0.779 0 O-C-N 120.167 -1.583 . . . . 6.0 112.226 174.819 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.65 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 112.535 0.569 . . . . 6.0 112.535 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.65 ' HD2' HD13 ' A' ' 381' ' ' LEU . 47.1 Cg_exo -44.3 -31.88 4.72 Favored 'Trans proline' 0 C--N 1.356 0.923 1 C-N-CA 126.077 4.518 . . . . 6.0 118.046 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -130.36 23.02 5.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.726 1.21 . . . . 6.0 113.846 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.99 -48.09 70.74 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.426 -0.796 . . . . 6.0 111.248 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -34.33 74.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.33 1.052 . . . . 6.0 112.755 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 50.9 m -64.42 -50.16 68.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.395 1.078 . . . . 6.0 109.036 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -63.47 -44.97 92.88 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.513 1.125 . . . . 6.0 112.402 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -57.97 -44.28 86.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.537 1.135 . . . . 6.0 111.372 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.75 -39.97 88.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.249 0.62 . . . . 6.0 111.987 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.63 -45.12 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.256 1.022 . . . . 6.0 110.709 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.07 -45.8 87.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.957 1.303 . . . . 6.0 111.616 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.19 -43.79 92.2 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.862 -0.524 . . . . 6.0 110.834 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -60.01 -53.29 59.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.647 0.779 . . . . 6.0 110.51 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.1 mtp -51.8 -36.21 46.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.13 1.772 . . . . 6.0 113.213 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 124.578 1.151 . . . . 6.0 113.288 179.489 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 122.069 0.938 . . . . 6.0 108.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.31 41.48 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.849 1.426 . . . . 6.0 114.849 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -83.93 -19.18 35.14 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.215 1.191 . . . . 6.0 114.215 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 28.4 t -67.11 -65.79 0.64 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.344 1.429 . . . . 6.0 112.126 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.18 -34.15 70.02 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.375 0.88 . . . . 6.0 113.375 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 17.9 p -68.85 -52.48 29.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.313 0.506 . . . . 6.0 111.014 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.6 m -53.49 -45.87 69.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.468 1.107 . . . . 6.0 112.564 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -52.86 -36.25 58.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.805 1.242 . . . . 6.0 112.837 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -85.06 -42.6 14.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.131 0.972 . . . . 6.0 112.253 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.01 -41.42 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.75 1.22 . . . . 6.0 113.653 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.91 -47.64 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.622 1.569 . . . . 6.0 110.335 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.4 m -58.07 -23.42 54.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.5 1.667 . . . . 6.0 115.5 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -69.3 -54.88 12.35 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.457 1.48 . . . . 6.0 111.209 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -61.72 -28.82 69.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.695 0.798 . . . . 6.0 112.729 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.31 -11.51 60.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.332 1.234 . . . . 6.0 114.332 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -130.06 -32.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.701 1.741 . . . . 6.0 115.701 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.9 t -69.56 148.44 49.42 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.638 1.108 . . . . 6.0 113.063 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -140.22 -14.26 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.73 1.612 . . . . 6.0 114.455 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -61.59 119.62 9.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.664 1.186 . . . . 6.0 112.241 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -61.68 -9.92 7.38 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.154 2.279 . . . . 6.0 117.154 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -126.94 16.25 7.36 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.761 1.164 . . . . 6.0 113.667 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.2 t -52.52 125.97 37.67 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 125.573 1.549 . . . . 6.0 110.504 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -52.69 -22.43 17.29 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.681 3.587 . . . . 6.0 116.48 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 30.2 t -114.65 -39.17 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.611 1.164 . . . . 6.0 111.102 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.72 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 95.6 m -72.66 -26.87 61.79 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.256 -1.528 . . . . 6.0 113.622 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 430' ' ' LEU . 2.7 tm? -39.88 -58.25 2.26 Favored Pre-proline 0 N--CA 1.474 0.774 0 CA-C-N 120.541 1.518 . . . . 6.0 114.342 -175.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.64 -32.98 97.9 Favored 'Trans proline' 0 C--N 1.35 0.638 0 CA-C-N 121.717 1.649 . . . . 6.0 113.173 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.7 -45.44 52.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.485 1.493 . . . . 6.0 110.842 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.72 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.0 mttt -59.91 -27.27 66.6 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.364 1.465 . . . . 6.0 110.695 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -84.01 -43.38 15.21 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.583 1.953 . . . . 6.0 110.751 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 126.542 1.937 . . . . 6.0 112.409 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 119.34 -0.362 . . . . 6.0 111.373 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.44 155.94 23.68 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.637 2.891 . . . . 6.0 111.093 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.67 103.46 2.13 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.793 -1.192 . . . . 6.0 113.822 -178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 tt -33.95 130.55 0.41 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 130.029 3.331 . . . . 6.0 111.925 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -54.27 126.99 24.0 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.538 2.159 . . . . 6.0 113.297 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -47.01 -41.85 17.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.349 1.86 . . . . 6.0 115.016 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.67 -27.76 67.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.075 0.95 . . . . 6.0 113.205 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 35.0 mt -90.02 -22.88 21.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.658 1.183 . . . . 6.0 113.132 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -55.39 -38.5 68.95 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 120.376 1.444 . . . . 6.0 111.985 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.17 -12.41 61.47 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.114 1.765 . . . . 6.0 114.672 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.9 mt -71.39 133.91 46.28 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.422 1.01 . . . . 6.0 111.294 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -73.25 107.49 5.6 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.8 p -88.92 -10.39 47.99 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.17 1.388 . . . . 6.0 114.397 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.93 -44.88 99.72 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 120.37 1.441 . . . . 6.0 113.467 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -62.01 -35.06 78.79 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.487 2.125 . . . . 6.0 112.072 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.4 mtt -63.87 -17.25 62.98 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.548 1.139 . . . . 6.0 113.521 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.46 -22.62 8.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.048 1.129 . . . . 6.0 114.048 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.18 -29.82 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.193 0.906 . . . . 6.0 112.028 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -85.46 -11.72 53.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.192 1.797 . . . . 6.0 114.42 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -49.81 -25.98 3.55 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 117.398 2.37 . . . . 6.0 117.398 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -136.42 32.35 2.82 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.428 1.491 . . . . 6.0 111.399 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.4 m -129.91 18.73 5.58 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.242 1.571 . . . . 6.0 115.242 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -144.82 146.05 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.023 0.929 . . . . 6.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -115.95 86.83 2.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.977 1.711 . . . . 6.0 107.13 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 812' ' ' ILE . 1.5 mt -45.23 -38.84 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.854 1.662 . . . . 6.0 112.819 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.2 mt-10 -86.03 -19.97 29.52 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.259 1.948 . . . . 6.0 116.259 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -95.69 -21.59 18.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.673 1.36 . . . . 6.0 114.673 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -38.7 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.696 1.198 . . . . 6.0 110.856 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 10.3 tpp . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.147 1.779 . . . . 6.0 112.803 -178.004 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.428 -0.582 . . . . 6.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.21 -43.08 38.39 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 124.678 3.585 . . . . 6.0 116.224 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.94 -48.65 43.81 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.858 -0.526 . . . . 6.0 112.223 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.668 -0.645 . . . . 6.0 110.008 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -46.42 54.98 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.722 1.609 . . . . 6.0 111.615 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -72.0 -33.35 68.03 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.18 1.355 . . . . 6.0 113.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.44 -49.1 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.895 1.68 . . . . 6.0 113.016 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.98 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 119.901 1.228 . . . . 6.0 111.166 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -54.06 -48.69 70.34 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.31 1.414 . . . . 6.0 112.003 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.41 -46.92 78.1 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.609 1.564 . . . . 6.0 112.043 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.11 -43.92 97.1 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.713 1.142 . . . . 6.0 110.948 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.22 -56.17 22.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.422 0.689 . . . . 6.0 110.077 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.83 -38.51 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 113.491 0.923 . . . . 6.0 113.491 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.98 -38.5 82.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.055 0.843 . . . . 6.0 111.514 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.11 -43.97 90.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 6.0 110.371 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.39 -46.93 76.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.276 0.631 . . . . 6.0 111.106 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -61.05 -61.42 2.58 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.161 0.584 . . . . 6.0 110.286 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.81 61.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.354 1.462 . . . . 6.0 114.468 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -60.31 -54.12 49.48 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.415 1.007 . . . . 6.0 111.718 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -64.34 -37.5 87.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.499 -0.75 . . . . 6.0 111.574 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.14 -37.87 86.83 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.675 0.79 . . . . 6.0 110.93 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 124.395 1.078 . . . . 6.0 109.668 174.092 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.253 0 CA-C-O 118.863 -0.589 . . . . 6.0 110.5 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 381' ' ' LEU . 1.4 Cg_exo -35.36 -35.11 0.12 Allowed 'Trans proline' 0 CA--C 1.541 0.825 1 C-N-CA 126.625 4.884 . . . . 6.0 121.52 -176.009 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.73 19.97 6.62 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.01 1.485 . . . . 6.0 115.01 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 13.0 t -52.36 -51.8 56.89 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.172 0.989 . . . . 6.0 111.335 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.55 -35.34 77.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.699 1.2 . . . . 6.0 113.057 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.9 m -63.51 -49.41 73.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.226 1.01 . . . . 6.0 109.455 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.1 mmt -66.33 -46.06 78.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.623 1.169 . . . . 6.0 112.25 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -54.53 -44.97 73.26 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.091 1.314 . . . . 6.0 111.51 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.77 -44.24 97.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.719 0.808 . . . . 6.0 112.198 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -36.87 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.178 0.991 . . . . 6.0 111.736 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.38 -49.3 56.64 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 124.794 1.237 . . . . 6.0 111.434 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.08 -32.83 72.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 111.819 0.303 . . . . 6.0 111.819 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -65.88 -50.95 62.67 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.482 -0.761 . . . . 6.0 109.375 173.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 67.1 mtp -52.85 -33.57 50.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.871 1.269 . . . . 6.0 112.801 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 114.686 1.365 . . . . 6.0 114.686 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 107.001 -1.481 . . . . 6.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.38 -34.69 11.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.227 1.936 . . . . 6.0 116.227 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.01 -24.25 21.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.656 1.354 . . . . 6.0 114.656 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 23.2 t -58.48 -67.37 0.36 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.321 1.449 . . . . 6.0 113.328 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.41 67.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.724 0.639 . . . . 6.0 112.724 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.574 ' HA ' HD22 ' B' ' 798' ' ' LEU . 63.0 m -67.13 -48.08 69.17 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.178 -0.327 . . . . 6.0 111.682 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -59.66 -47.07 87.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.601 1.16 . . . . 6.0 111.904 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -50.14 -37.88 36.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.295 1.838 . . . . 6.0 112.413 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -83.36 -43.26 16.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.415 1.086 . . . . 6.0 112.377 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.75 -39.11 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 120.962 -1.086 . . . . 6.0 113.515 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.355 1.462 . . . . 6.0 110.768 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.4 m -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.524 1.305 . . . . 6.0 114.524 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -68.1 -59.86 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.261 0.937 . . . . 6.0 110.898 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -57.72 -33.95 68.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.75 1.22 . . . . 6.0 113.31 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -63.0 -13.48 35.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.776 1.231 . . . . 6.0 114.052 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -133.92 -30.85 1.19 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.377 1.992 . . . . 6.0 116.377 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.42 136.98 57.98 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.855 1.207 . . . . 6.0 114.02 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 14.4 t -138.49 10.21 2.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.908 1.683 . . . . 6.0 113.18 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -67.29 118.89 11.28 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.262 1.425 . . . . 6.0 110.16 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -63.88 -8.94 12.54 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.006 1.854 . . . . 6.0 116.006 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -129.75 19.75 5.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.309 1.444 . . . . 6.0 113.067 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 52.7 t -54.24 124.31 46.0 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.411 -0.959 . . . . 6.0 108.411 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.78 -28.07 59.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.007 1.805 . . . . 6.0 112.327 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.97 -46.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 117.897 -1.049 . . . . 6.0 110.711 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.698 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 85.4 m -74.08 -29.6 61.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 121.072 1.76 . . . . 6.0 114.922 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.1 tp -40.87 -53.37 6.11 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-N 122.179 2.263 . . . . 6.0 115.318 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -59.44 -35.51 96.02 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-N 121.813 1.683 . . . . 6.0 112.879 176.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.39 -42.01 62.66 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.082 1.31 . . . . 6.0 111.861 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.698 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 13.9 mttm -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.219 -1.03 . . . . 6.0 108.219 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -65.82 -45.39 82.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.882 1.273 . . . . 6.0 111.666 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 126.537 1.935 . . . . 6.0 113.127 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 112.876 0.695 . . . . 6.0 112.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -51.98 159.21 4.05 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 123.545 2.83 . . . . 6.0 112.232 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.38 107.43 0.57 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.445 1.498 . . . . 6.0 113.615 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.69 122.77 35.0 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.468 1.907 . . . . 6.0 110.813 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -51.52 124.06 13.5 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.475 2.783 . . . . 6.0 113.041 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -50.85 -37.39 42.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.588 1.329 . . . . 6.0 114.588 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.37 -26.84 66.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.781 0.833 . . . . 6.0 112.679 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.07 -28.04 19.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.809 1.243 . . . . 6.0 112.703 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -55.15 -38.28 68.05 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.855 1.207 . . . . 6.0 112.147 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.83 -11.38 60.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.061 1.344 . . . . 6.0 114.402 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.0 mt -69.52 139.97 53.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.786 1.176 . . . . 6.0 112.096 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -74.23 101.22 3.93 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.769 0.827 . . . . 6.0 109.973 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.1 p -86.95 -9.56 55.34 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.92 1.288 . . . . 6.0 113.891 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.24 -45.76 99.21 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.986 1.266 . . . . 6.0 114.219 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.22 -23.82 20.63 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 CA-C-N 121.835 1.691 . . . . 6.0 110.941 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 28.6 mtt -66.25 -16.87 64.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.225 1.01 . . . . 6.0 112.957 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.93 -22.05 3.55 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -70.01 -27.64 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.047 0.84 . . . . 6.0 112.517 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.33 -12.6 54.3 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.898 1.679 . . . . 6.0 113.987 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -47.22 -22.1 0.35 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 117.85 2.537 . . . . 6.0 117.85 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.41 32.84 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.044 1.737 . . . . 6.0 111.832 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.4 m -129.06 20.32 5.88 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.0 t -143.62 152.91 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.949 0.9 . . . . 6.0 112.642 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -119.55 84.01 2.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.031 2.132 . . . . 6.0 108.372 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.55 -40.83 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.896 1.678 . . . . 6.0 112.962 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.0 mt-10 -88.01 -19.91 26.54 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.536 1.68 . . . . 6.0 115.536 -178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -96.57 -25.09 15.74 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.746 1.387 . . . . 6.0 114.746 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -44.13 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.944 1.297 . . . . 6.0 111.518 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 26.4 tpp . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 126.798 2.039 . . . . 6.0 114.297 -174.295 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 109.078 -0.712 . . . . 6.0 109.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.79 -38.89 85.55 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.904 3.069 . . . . 6.0 115.302 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.21 -45.39 60.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.287 -0.883 . . . . 6.0 111.591 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -62.91 -45.75 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.743 -0.598 . . . . 6.0 109.932 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -50.29 -49.35 53.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.57 1.548 . . . . 6.0 110.859 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -57.54 -31.68 66.34 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.306 1.043 . . . . 6.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.57 -51.2 15.24 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.969 -1.015 . . . . 6.0 112.51 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.46 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.647 1.112 . . . . 6.0 110.539 174.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -55.8 -49.99 71.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.83 1.196 . . . . 6.0 112.095 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.3 -40.9 70.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 117.809 -1.091 . . . . 6.0 113.163 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -62.51 -43.28 99.19 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.532 1.514 . . . . 6.0 110.33 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.47 -57.63 11.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.759 0.824 . . . . 6.0 110.353 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 30.4 t -58.27 -40.02 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.469 0.914 . . . . 6.0 113.469 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 381' ' ' LEU . 11.4 mt -58.83 -36.82 75.16 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.736 0.698 . . . . 6.0 112.14 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.09 -43.77 73.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.774 0.715 . . . . 6.0 110.494 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.86 -41.54 70.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.073 0.549 . . . . 6.0 110.869 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -69.38 -59.53 2.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.158 0.583 . . . . 6.0 111.092 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.11 -37.95 49.01 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.5 1.296 . . . . 6.0 114.5 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -59.81 -59.04 6.07 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.116 0.871 . . . . 6.0 111.468 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -65.1 -30.36 71.29 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.54 -0.725 . . . . 6.0 112.678 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.7 t -64.67 -43.8 92.4 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.971 0.908 . . . . 6.0 110.571 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? . . . . . 0 CA--C 1.546 0.815 0 O-C-N 120.886 -1.134 . . . . 6.0 110.795 174.577 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 112.413 0.523 . . . . 6.0 112.413 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.4 Cg_exo -45.43 -30.17 5.48 Favored 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 125.861 4.374 . . . . 6.0 117.682 177.8 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.74 20.91 6.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.239 1.416 . . . . 6.0 113.727 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.35 -49.35 69.96 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.335 -0.853 . . . . 6.0 111.185 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -35.32 80.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.041 0.936 . . . . 6.0 112.76 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -60.49 -50.96 71.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.667 1.187 . . . . 6.0 109.087 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.48 80.96 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.391 1.076 . . . . 6.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -56.4 -41.79 76.89 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.814 1.188 . . . . 6.0 111.926 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -63.74 -43.97 94.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.363 0.665 . . . . 6.0 111.514 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.91 -41.38 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.153 0.981 . . . . 6.0 111.217 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.7 -46.95 77.08 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.918 1.687 . . . . 6.0 112.416 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.64 -44.41 97.02 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.977 -0.452 . . . . 6.0 110.134 174.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -56.18 -54.48 44.75 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.451 0.569 . . . . 6.0 110.121 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 58.8 mtp -49.94 -37.37 31.65 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.437 1.895 . . . . 6.0 113.391 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.354 1.062 . . . . 6.0 113.309 -179.062 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 108.426 -0.953 . . . . 6.0 108.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.27 48.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -84.18 -19.78 33.48 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.892 1.071 . . . . 6.0 113.892 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 21.7 t -66.6 -66.61 0.53 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.103 1.32 . . . . 6.0 111.529 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.7 -36.2 64.43 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.42 0.896 . . . . 6.0 113.42 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 18.7 p -70.14 -52.88 20.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.827 0.285 . . . . 6.0 111.339 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 75.3 m -53.14 -44.43 67.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.505 1.122 . . . . 6.0 112.342 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -52.79 -37.71 60.12 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.928 1.691 . . . . 6.0 112.579 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -84.12 -42.7 15.77 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.516 1.526 . . . . 6.0 112.35 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.24 -40.85 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.528 1.131 . . . . 6.0 113.289 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.46 -45.35 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.606 1.562 . . . . 6.0 110.11 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.1 m -58.45 -26.93 63.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.407 1.262 . . . . 6.0 114.407 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -69.26 -55.77 9.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.678 1.126 . . . . 6.0 110.798 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.0 t-105 -59.61 -31.84 69.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.605 1.162 . . . . 6.0 112.56 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -64.39 -14.16 55.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.478 1.511 . . . . 6.0 114.368 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -132.62 -29.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.291 1.96 . . . . 6.0 116.291 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.0 t -66.95 143.49 56.78 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.912 1.233 . . . . 6.0 113.638 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.4 p -136.98 -6.68 1.85 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.368 1.867 . . . . 6.0 113.418 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.67 117.24 6.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.904 1.682 . . . . 6.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -66.52 -8.91 29.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.543 1.683 . . . . 6.0 115.543 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -125.41 15.09 8.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.88 1.272 . . . . 6.0 113.475 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.61 126.48 70.63 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 106.887 -1.523 . . . . 6.0 106.887 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.03 -36.4 38.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.063 1.842 . . . . 6.0 112.698 -173.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 85.8 t -80.74 -47.73 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 118.414 -0.803 . . . . 6.0 110.446 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.707 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 97.6 m -70.78 -29.7 65.98 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.0 tp -42.3 -53.81 8.47 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 121.053 1.751 . . . . 6.0 114.97 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.41 -34.91 97.44 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 CA-C-N 122.172 1.811 . . . . 6.0 113.159 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.38 -41.94 65.77 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.482 1.492 . . . . 6.0 111.574 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.707 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.5 mttt -61.59 -40.89 96.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.714 1.206 . . . . 6.0 108.461 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.24 -41.4 81.22 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.516 1.126 . . . . 6.0 111.425 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 126.218 1.807 . . . . 6.0 113.358 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-O 118.944 -0.55 . . . . 6.0 111.925 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 158.89 11.7 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.195 2.597 . . . . 6.0 113.481 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.46 109.12 1.08 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.687 1.995 . . . . 6.0 114.177 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.45 123.46 43.62 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.397 1.479 . . . . 6.0 110.775 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.11 121.39 9.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.045 2.497 . . . . 6.0 111.801 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.57 -33.67 64.08 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.37 -27.43 69.31 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.615 -0.678 . . . . 6.0 112.178 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.11 -26.91 19.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.732 1.213 . . . . 6.0 111.702 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -58.82 -35.37 72.76 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.245 1.384 . . . . 6.0 110.835 174.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -64.69 -21.22 66.69 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.131 1.373 . . . . 6.0 114.147 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 43.7 mt -69.01 133.69 48.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.137 0.881 . . . . 6.0 111.688 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -72.5 105.85 4.34 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.225 0.61 . . . . 6.0 109.434 175.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -85.76 -8.9 57.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.073 1.349 . . . . 6.0 114.35 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.17 -46.77 99.27 Favored Pre-proline 0 N--CA 1.478 0.938 0 CA-C-N 120.701 1.591 . . . . 6.0 113.668 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.4 -32.5 81.02 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.287 1.992 . . . . 6.0 112.344 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 39.1 mtt -64.88 -16.89 63.77 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.622 1.169 . . . . 6.0 113.655 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.12 -22.2 3.98 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.425 1.268 . . . . 6.0 114.425 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.78 -28.47 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 118.914 0.779 . . . . 6.0 112.44 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.35 -12.81 48.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.067 1.747 . . . . 6.0 114.383 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -47.44 -25.57 1.1 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 117.953 2.575 . . . . 6.0 117.953 -172.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.48 33.57 1.3 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.616 1.567 . . . . 6.0 111.793 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -126.41 20.93 7.3 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.79 156.95 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.593 1.157 . . . . 6.0 111.589 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -122.3 85.06 2.35 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.631 1.972 . . . . 6.0 107.995 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -47.54 -40.24 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.242 1.417 . . . . 6.0 112.663 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 32.6 mt-10 -87.58 -19.93 27.13 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.12 1.896 . . . . 6.0 116.12 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -93.36 -25.09 17.86 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -42.54 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.704 1.202 . . . . 6.0 112.191 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.7 tpp . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 126.05 1.74 . . . . 6.0 114.154 -174.046 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 113.447 0.906 . . . . 6.0 113.447 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.87 -38.17 85.65 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.783 2.989 . . . . 6.0 115.053 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -69.85 -44.25 70.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 6.0 111.85 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 349' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' B' ' 800' ' ' THR . 86.8 tttt -65.04 -46.51 80.96 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.354 -0.841 . . . . 6.0 110.3 174.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -52.78 -45.7 67.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.348 1.459 . . . . 6.0 110.082 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.6 -43.12 99.45 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.796 1.238 . . . . 6.0 111.805 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.55 -48.39 81.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -38.84 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.558 1.526 . . . . 6.0 110.634 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -57.8 -45.51 85.98 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.195 0.907 . . . . 6.0 112.127 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.68 -48.19 78.15 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.309 1.044 . . . . 6.0 111.736 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.41 -44.15 92.16 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.665 1.12 . . . . 6.0 111.143 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.23 -52.4 59.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.875 0.87 . . . . 6.0 110.687 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.45 HG21 HG23 ' B' ' 812' ' ' ILE . 21.2 t -65.59 -38.9 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.706 0.632 . . . . 6.0 112.706 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -39.29 85.9 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.374 0.988 . . . . 6.0 111.619 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.76 -45.4 82.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.821 0.737 . . . . 6.0 110.284 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.25 -46.07 79.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.948 0.499 . . . . 6.0 110.999 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.32 -57.72 11.56 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 122.745 0.418 . . . . 6.0 109.986 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.03 -33.33 67.09 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.986 1.106 . . . . 6.0 113.986 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -64.61 -54.75 26.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.685 1.129 . . . . 6.0 109.591 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -43.37 66.56 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.582 1.153 . . . . 6.0 111.047 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.86 -38.16 73.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.405 0.682 . . . . 6.0 111.275 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.304 1.042 . . . . 6.0 110.229 173.719 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.558 1.255 0 CA-C-O 118.571 -0.728 . . . . 6.0 109.615 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -34.4 -36.05 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.856 1 C-N-CA 126.334 4.689 . . . . 6.0 121.578 -174.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -129.97 22.32 5.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.004 1.275 . . . . 6.0 114.096 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 7.7 t -51.28 -53.25 37.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.89 1.276 . . . . 6.0 111.385 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -35.41 74.93 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.613 1.165 . . . . 6.0 113.149 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.1 m -66.03 -50.9 62.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.818 0.847 . . . . 6.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 26.1 mmt -63.43 -42.63 98.7 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 123.427 0.691 . . . . 6.0 111.264 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.23 -42.34 81.22 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.644 1.111 . . . . 6.0 111.676 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -63.8 -43.49 96.12 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.985 0.514 . . . . 6.0 111.517 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.97 -41.43 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.991 0.916 . . . . 6.0 111.46 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.18 -46.22 71.28 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.684 1.594 . . . . 6.0 111.344 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.98 -41.35 96.25 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.773 -0.58 . . . . 6.0 110.067 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.94 -50.67 72.84 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.064 0.847 . . . . 6.0 110.439 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 61.8 mtp -52.93 -35.72 58.81 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.471 1.508 . . . . 6.0 112.088 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 125.013 1.325 . . . . 6.0 113.843 178.699 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 107.364 -1.347 . . . . 6.0 107.364 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.43 58.24 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.731 1.382 . . . . 6.0 114.731 -175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.74 -32.22 62.04 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.988 -1.006 . . . . 6.0 113.65 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.5 -64.24 0.99 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.273 1.429 . . . . 6.0 112.68 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.85 80.46 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.676 -0.64 . . . . 6.0 112.605 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -63.87 -47.97 78.56 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.622 0.369 . . . . 6.0 110.912 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.4 m -59.7 -46.18 89.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.354 1.462 . . . . 6.0 111.637 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -52.72 -42.62 65.03 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.926 0.891 . . . . 6.0 111.885 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -74.09 -44.18 54.95 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.524 0.73 . . . . 6.0 112.29 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.06 -43.23 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.526 1.131 . . . . 6.0 113.701 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.1 mt -55.17 -48.66 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.89 1.676 . . . . 6.0 110.761 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.3 m -57.47 -23.09 47.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.111 1.523 . . . . 6.0 115.111 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.25 -58.1 4.15 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.899 1.227 . . . . 6.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -61.44 -28.8 69.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.802 0.841 . . . . 6.0 112.561 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -63.78 -19.99 65.42 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.543 1.312 . . . . 6.0 114.543 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.54 -28.76 2.48 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.829 1.789 . . . . 6.0 115.829 -173.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.424 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.4 t -67.94 149.59 49.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.481 1.037 . . . . 6.0 112.792 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 63.2 p -139.87 -24.87 0.82 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.843 1.423 . . . . 6.0 114.843 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.71 119.85 7.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.831 1.196 . . . . 6.0 112.905 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -63.01 -6.83 4.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.698 1.999 . . . . 6.0 116.093 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.95 7.35 13.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.845 1.658 . . . . 6.0 113.522 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.8 t -48.77 126.46 13.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.856 1.662 . . . . 6.0 113.133 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -52.7 -23.0 18.79 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.637 2.891 . . . . 6.0 116.122 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 8.8 t -116.17 -44.95 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 116.682 -1.628 . . . . 6.0 110.994 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.517 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 36.9 m -69.89 -23.31 63.23 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.726 2.057 . . . . 6.0 114.375 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.9 tp -39.28 -56.62 2.61 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 121.625 2.011 . . . . 6.0 114.458 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -58.61 -33.98 98.56 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.152 1.901 . . . . 6.0 114.008 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.6 mp -74.04 -42.62 59.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.016 1.735 . . . . 6.0 111.18 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.517 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 43.3 mttt -60.96 -37.14 81.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.758 1.223 . . . . 6.0 108.952 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.89 -49.71 49.52 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.085 1.354 . . . . 6.0 110.362 172.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.548 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.478 0.972 0 C-N-CA 127.007 2.123 . . . . 6.0 114.629 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -66.24 159.73 48.49 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.955 3.103 . . . . 6.0 109.432 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -78.8 106.81 11.06 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.966 -1.084 . . . . 6.0 113.665 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.4 tt -27.99 129.61 0.21 Allowed Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 131.247 3.819 . . . . 6.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -54.86 128.17 29.33 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.409 2.073 . . . . 6.0 113.562 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -47.8 -42.14 25.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.241 1.816 . . . . 6.0 115.141 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.24 -28.22 68.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.331 -0.856 . . . . 6.0 113.04 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 37.2 mt -89.36 -20.1 24.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.193 0.997 . . . . 6.0 112.618 175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.86 -34.12 67.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 120.504 1.502 . . . . 6.0 111.442 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -68.58 -17.19 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.227 1.811 . . . . 6.0 114.093 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.51 116.42 16.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.303 0.956 . . . . 6.0 109.848 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.52 115.38 10.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.803 -0.814 . . . . 6.0 108.803 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 800' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 349' ' ' LYS . 22.5 p -81.1 -5.28 57.47 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.148 1.907 . . . . 6.0 116.148 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -53.46 -44.81 98.34 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-N 120.459 1.481 . . . . 6.0 114.175 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -63.29 -37.57 49.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.436 2.091 . . . . 6.0 111.578 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -17.12 62.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.401 1.08 . . . . 6.0 113.512 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -54.37 -22.93 13.61 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.401 1.455 . . . . 6.0 114.42 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.38 -26.48 40.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 119.411 1.005 . . . . 6.0 111.924 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -89.9 -10.02 46.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.99 2.116 . . . . 6.0 113.932 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -46.05 -24.17 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 118.092 2.627 . . . . 6.0 118.092 -171.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 32.37 1.52 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.361 1.464 . . . . 6.0 112.36 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 8.4 m -128.82 18.94 6.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.048 1.87 . . . . 6.0 116.048 -172.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.9 150.2 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.919 0.781 . . . . 6.0 112.452 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -116.73 86.43 2.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.826 2.05 . . . . 6.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.45 -36.91 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.724 1.21 . . . . 6.0 112.617 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.1 mt-10 -90.32 -19.95 23.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.643 2.09 . . . . 6.0 116.643 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.58 -16.49 16.74 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 120.423 1.465 . . . . 6.0 114.871 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -41.81 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.299 1.04 . . . . 6.0 110.914 175.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 CA--C 1.546 0.812 0 C-N-CA 126.589 1.955 . . . . 6.0 114.944 -173.778 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 50.1 t0 . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 119.257 -0.401 . . . . 6.0 110.451 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -50.84 -39.81 57.92 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.703 3.602 . . . . 6.0 114.905 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.42 -53.71 32.49 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.133 0.973 . . . . 6.0 111.164 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -40.62 93.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.719 0.808 . . . . 6.0 111.007 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -52.83 -50.35 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.052 1.741 . . . . 6.0 111.486 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -60.27 -34.47 73.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.717 0.807 . . . . 6.0 112.223 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' ' 807' ' ' ARG . 75.6 mt -67.2 -50.62 60.2 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.781 -1.104 . . . . 6.0 112.786 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.21 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 120.396 1.453 . . . . 6.0 110.79 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.57 -51.75 58.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.406 1.003 . . . . 6.0 112.282 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.5 -39.23 77.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.064 -0.97 . . . . 6.0 113.206 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.54 -44.88 89.41 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.527 1.512 . . . . 6.0 110.799 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.52 -53.34 55.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.824 0.85 . . . . 6.0 110.154 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.84 -38.01 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.26 -39.77 91.57 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.487 1.04 . . . . 6.0 111.876 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.12 -44.99 94.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.898 0.772 . . . . 6.0 110.412 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.27 -45.28 88.18 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.559 0.744 . . . . 6.0 111.383 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -61.19 -57.67 11.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.346 0.521 . . . . 6.0 110.169 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.32 57.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.2 1.4 . . . . 6.0 114.069 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.8 -53.67 50.67 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.042 0.837 . . . . 6.0 110.919 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -60.39 -37.19 80.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.75 0.82 . . . . 6.0 111.575 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.6 -34.66 76.17 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.631 1.172 . . . . 6.0 111.541 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? . . . . . 0 CA--C 1.542 0.648 0 O-C-N 120.726 -1.234 . . . . 6.0 110.181 173.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 108.828 -0.805 . . . . 6.0 108.828 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.437 ' HB2' ' HB3' ' B' ' 809' ' ' SER . 91.4 Cg_exo -47.98 143.04 14.36 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.808 2.339 . . . . 6.0 113.675 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 58.67 8.76 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.687 2.106 . . . . 6.0 116.687 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 12.0 t -52.54 -45.18 66.24 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 120.768 1.622 . . . . 6.0 111.644 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -28.3 69.66 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 31.3 m -66.86 -48.54 68.52 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.101 1.36 . . . . 6.0 108.645 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -47.74 71.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 124.591 1.156 . . . . 6.0 111.664 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -53.32 -41.11 65.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.909 1.232 . . . . 6.0 112.099 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.22 -47.19 80.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.747 0.819 . . . . 6.0 111.769 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.06 -38.88 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.623 1.169 . . . . 6.0 111.843 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.4 -49.1 62.5 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 126.218 1.807 . . . . 6.0 112.451 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -59.75 -40.51 88.37 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 122.073 -0.392 . . . . 6.0 110.367 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.44 -53.72 54.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.446 0.698 . . . . 6.0 110.296 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.6 mtp -52.47 -34.98 51.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.961 1.704 . . . . 6.0 113.777 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 6.0 113.296 -179.307 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.3 t . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 108.818 -0.808 . . . . 6.0 108.818 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.97 56.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.322 1.971 . . . . 6.0 116.322 -174.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.91 -25.17 21.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.128 1.159 . . . . 6.0 114.128 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.5 t -56.56 -65.59 0.58 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.786 1.635 . . . . 6.0 113.6 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.41 75.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.014 0.525 . . . . 6.0 112.393 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.584 ' HA ' HD22 ' B' ' 798' ' ' LEU . 64.9 m -66.65 -47.26 73.11 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.229 -0.294 . . . . 6.0 111.522 177.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -58.31 -43.47 88.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.728 1.211 . . . . 6.0 112.22 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.35 -43.35 54.06 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.577 1.551 . . . . 6.0 112.029 176.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -83.62 -40.91 18.43 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.872 1.269 . . . . 6.0 112.46 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.09 -41.75 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.299 0.954 . . . . 6.0 112.065 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.23 -49.25 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.086 1.354 . . . . 6.0 109.838 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 51.8 m -56.92 -31.09 64.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.635 0.976 . . . . 6.0 113.635 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.82 -57.55 8.58 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.91 0.777 . . . . 6.0 110.618 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -55.98 -33.92 65.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.539 1.536 . . . . 6.0 112.874 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -67.48 -13.21 61.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -132.13 -23.33 2.2 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.567 2.062 . . . . 6.0 116.567 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.0 t -62.77 148.25 47.38 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.152 1.342 . . . . 6.0 113.445 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.7 p -132.0 -14.67 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.63 1.572 . . . . 6.0 114.389 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -68.02 117.97 10.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.589 1.086 . . . . 6.0 110.779 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.0 -36.15 83.02 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 122.126 -0.359 . . . . 6.0 110.508 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.44 5.18 24.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.031 1.493 . . . . 6.0 115.031 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.84 125.45 39.09 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 107.392 -1.336 . . . . 6.0 107.392 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.22 -33.58 71.23 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.418 2.078 . . . . 6.0 112.28 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.35 -45.4 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 123.821 0.848 . . . . 6.0 111.169 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.494 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 96.3 m -73.94 -30.99 62.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.035 1.494 . . . . 6.0 115.035 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.6 tp -41.15 -52.9 6.92 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 120.898 1.681 . . . . 6.0 114.997 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -60.71 -34.84 91.42 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 122.089 1.782 . . . . 6.0 113.144 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.44 -40.9 66.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.341 1.428 . . . . 6.0 111.196 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.494 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 38.5 mttt -63.05 -31.45 72.6 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.131 1.372 . . . . 6.0 110.066 176.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.97 -47.48 44.98 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.677 1.191 . . . . 6.0 109.995 171.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 126.024 1.73 . . . . 6.0 113.707 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 118.626 -0.702 . . . . 6.0 110.726 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -55.29 160.25 8.92 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 122.922 2.415 . . . . 6.0 113.394 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.53 110.7 2.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.715 1.606 . . . . 6.0 114.184 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.48 121.28 59.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.111 1.764 . . . . 6.0 111.041 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.69 123.09 11.52 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.197 2.598 . . . . 6.0 112.773 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.55 -36.4 61.81 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.84 -25.2 67.1 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.014 0.925 . . . . 6.0 112.35 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.11 -28.62 18.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.664 1.186 . . . . 6.0 112.627 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -56.85 -37.87 71.88 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.024 1.284 . . . . 6.0 110.337 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -60.92 -27.78 68.44 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.753 2.021 . . . . 6.0 114.1 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.584 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.3 mt -64.69 138.17 58.24 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.983 0.81 . . . . 6.0 112.884 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -75.36 103.41 5.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.642 0.777 . . . . 6.0 110.42 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.46 -7.42 56.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.027 1.331 . . . . 6.0 114.338 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.97 -46.81 99.5 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 120.209 1.368 . . . . 6.0 113.715 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.8 -22.37 23.76 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 121.593 1.605 . . . . 6.0 111.293 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 19.2 mtt -67.68 -17.14 64.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.441 1.096 . . . . 6.0 113.358 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.09 -22.67 2.57 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.724 1.379 . . . . 6.0 114.724 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 20.7 pt -67.14 -29.13 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 118.946 0.794 . . . . 6.0 112.77 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -81.53 -17.03 49.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.926 1.69 . . . . 6.0 114.707 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 807' ' ' ARG . . . . . 0.498 ' HB2' HD21 ' A' ' 352' ' ' LEU . 29.7 tpt85 -45.99 -18.4 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.879 2.871 . . . . 6.0 118.629 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.13 30.7 1.04 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.195 1.398 . . . . 6.0 111.972 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.9 m -131.31 10.33 4.86 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.857 2.169 . . . . 6.0 116.857 -170.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.8 127.11 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 114.288 1.218 . . . . 6.0 114.288 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -87.51 85.96 7.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.576 1.55 . . . . 6.0 109.855 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.412 HG21 HD13 ' B' ' 812' ' ' ILE . 1.6 mt -47.87 -38.04 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.94 1.296 . . . . 6.0 112.694 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 87.9 mt-10 -90.07 -19.68 24.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.906 1.817 . . . . 6.0 115.906 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.01 -16.58 16.42 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.167 1.543 . . . . 6.0 115.167 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -44.39 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.406 1.082 . . . . 6.0 111.25 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.1 tpp . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 126.567 1.947 . . . . 6.0 114.993 -172.689 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 CA--C 1.553 1.089 0 N-CA-C 112.553 0.575 . . . . 6.0 112.553 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.45 -40.94 77.19 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.863 3.042 . . . . 6.0 115.489 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.15 -42.88 65.47 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.301 -0.874 . . . . 6.0 111.752 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.23 -45.62 92.51 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.85 -0.531 . . . . 6.0 109.722 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.48 -45.28 62.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.817 1.247 . . . . 6.0 110.032 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -64.09 -41.7 97.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.429 0.691 . . . . 6.0 112.141 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.22 -51.24 70.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -42.06 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.318 1.417 . . . . 6.0 110.751 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.16 -47.66 74.83 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.353 0.978 . . . . 6.0 112.422 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.63 -46.84 83.86 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.323 -0.846 . . . . 6.0 111.788 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.12 -44.37 92.43 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.007 1.276 . . . . 6.0 110.851 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.4 -55.37 29.33 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.161 0.984 . . . . 6.0 110.13 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.421 HG21 HG23 ' B' ' 812' ' ' ILE . 20.3 t -62.14 -38.25 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 113.15 0.796 . . . . 6.0 113.15 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.39 -39.12 78.81 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.167 0.894 . . . . 6.0 111.616 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.51 -44.29 78.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.164 0.586 . . . . 6.0 110.741 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.8 -40.67 80.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.999 0.52 . . . . 6.0 111.176 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 362' ' ' HIS . . . . . 0.413 ' HB2' HG23 ' B' ' 815' ' ' ILE . 49.2 t-80 -64.08 -60.56 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.004 0.522 . . . . 6.0 110.052 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.95 -37.05 60.71 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.803 1.241 . . . . 6.0 114.329 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -56.6 -59.12 5.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.111 0.964 . . . . 6.0 111.852 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.95 -32.31 69.16 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.455 -0.778 . . . . 6.0 112.538 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 7.1 t -62.53 -45.09 94.55 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.576 0.625 . . . . 6.0 110.973 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 124.264 1.026 . . . . 6.0 111.507 176.749 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 CA--C 1.556 1.201 0 N-CA-C 107.237 -1.394 . . . . 6.0 107.237 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -34.27 -33.26 0.07 OUTLIER 'Trans proline' 0 CA--C 1.543 0.954 1 C-N-CA 126.234 4.623 . . . . 6.0 121.587 -173.111 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -132.33 20.37 4.39 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.037 1.289 . . . . 6.0 113.5 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.9 t -49.57 -51.77 34.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.216 1.006 . . . . 6.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -34.06 74.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.101 0.96 . . . . 6.0 113.161 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.4 m -64.33 -50.65 66.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 6.0 109.058 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -45.13 85.79 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.859 0.864 . . . . 6.0 111.287 177.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -55.1 -41.58 71.8 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.798 1.181 . . . . 6.0 111.991 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.02 -45.15 82.54 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.644 0.778 . . . . 6.0 112.004 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.4 -41.99 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.396 1.078 . . . . 6.0 111.561 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.8 -46.55 84.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.04 1.736 . . . . 6.0 111.717 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.22 -44.19 95.39 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.632 -0.667 . . . . 6.0 110.854 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -58.97 -50.03 75.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.408 0.683 . . . . 6.0 110.778 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 62.5 mtp -53.57 -34.22 57.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.149 1.78 . . . . 6.0 112.94 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.535 1.134 . . . . 6.0 113.363 179.043 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 108.12 -1.067 . . . . 6.0 108.12 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.59 -40.74 39.86 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.15 -22.39 36.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.185 1.18 . . . . 6.0 114.185 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.3 t -65.43 -63.38 1.11 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.28 1.4 . . . . 6.0 111.122 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.52 69.29 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.648 0.981 . . . . 6.0 113.648 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 19.3 p -68.21 -53.09 27.25 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 117.957 0.344 . . . . 6.0 111.046 176.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.9 m -52.74 -48.19 66.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.504 1.122 . . . . 6.0 112.355 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.23 -39.64 45.2 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.125 1.77 . . . . 6.0 112.364 177.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -81.97 -42.74 18.99 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.923 1.289 . . . . 6.0 112.634 173.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.47 -42.35 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.763 1.225 . . . . 6.0 113.261 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 11.6 mt -59.75 -47.59 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.199 1.4 . . . . 6.0 110.389 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.7 m -55.33 -23.38 23.46 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.32 1.23 . . . . 6.0 114.32 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -74.73 -56.18 5.07 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.579 1.081 . . . . 6.0 111.094 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.49 -33.08 70.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.746 0.818 . . . . 6.0 112.058 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -67.31 -9.88 45.43 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.009 1.723 . . . . 6.0 114.015 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -33.0 1.14 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.525 2.046 . . . . 6.0 116.525 -174.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.9 t -65.35 150.49 48.2 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.462 1.028 . . . . 6.0 113.629 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 62.9 p -140.72 -8.12 1.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.595 1.958 . . . . 6.0 113.807 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.6 117.5 6.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.75 1.62 . . . . 6.0 111.489 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -67.35 -8.82 35.53 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.528 1.677 . . . . 6.0 115.528 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.37 15.3 8.3 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.929 1.292 . . . . 6.0 113.202 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 45.9 t -54.97 125.91 57.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 107.01 -1.478 . . . . 6.0 107.01 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.91 -40.41 44.22 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.055 1.837 . . . . 6.0 111.649 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.19 -53.52 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 117.823 -1.084 . . . . 6.0 111.067 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.614 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 74.6 m -69.07 -29.65 67.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.85 1.796 . . . . 6.0 115.85 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.1 tp -41.2 -54.82 5.58 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 120.933 1.697 . . . . 6.0 114.959 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.71 -39.13 92.88 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.044 1.766 . . . . 6.0 113.082 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.94 -44.81 65.35 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.973 1.26 . . . . 6.0 111.837 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.614 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.7 mttt -58.79 -28.26 65.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.352 1.461 . . . . 6.0 110.52 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -89.95 -29.33 18.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.414 1.886 . . . . 6.0 113.193 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 127.086 2.154 . . . . 6.0 114.152 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 119.087 -0.482 . . . . 6.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.63 161.16 8.17 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 123.181 2.587 . . . . 6.0 112.964 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.32 108.12 1.24 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.105 1.762 . . . . 6.0 114.132 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.76 125.26 37.87 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 126.427 1.891 . . . . 6.0 110.117 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.16 126.66 23.28 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 122.598 2.199 . . . . 6.0 113.749 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -46.82 -42.47 17.22 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.477 1.911 . . . . 6.0 114.865 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.37 -26.29 66.39 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.94 0.896 . . . . 6.0 113.41 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.15 -24.5 21.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.399 1.08 . . . . 6.0 112.723 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -54.73 -38.68 67.42 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.215 1.37 . . . . 6.0 111.838 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.21 -12.74 61.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 6.0 114.576 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.5 mt -70.68 131.35 43.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.464 1.029 . . . . 6.0 111.026 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.19 106.14 3.68 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.308 0.643 . . . . 6.0 109.452 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.5 p -86.47 -7.92 58.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.895 1.278 . . . . 6.0 114.104 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.42 -46.52 98.91 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-N 120.32 1.418 . . . . 6.0 112.871 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -62.62 -32.26 79.31 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.489 2.126 . . . . 6.0 112.134 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.0 mtt -65.08 -17.3 64.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.311 1.045 . . . . 6.0 113.714 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.25 -23.2 13.97 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.45 1.278 . . . . 6.0 114.45 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.26 -28.8 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 119.457 1.026 . . . . 6.0 111.835 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.69 -10.38 53.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.324 1.849 . . . . 6.0 113.94 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -45.33 -28.55 0.85 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 117.38 2.363 . . . . 6.0 117.38 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.4 37.53 1.88 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.661 1.184 . . . . 6.0 110.966 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.6 m -128.57 15.9 6.49 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 116.426 2.01 . . . . 6.0 116.426 -172.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.05 146.8 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.242 0.928 . . . . 6.0 112.777 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -111.3 85.56 2.15 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.646 1.979 . . . . 6.0 108.68 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.421 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.25 -36.89 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.162 1.385 . . . . 6.0 112.17 -175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.0 mt-10 -89.62 -19.89 24.36 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 116.276 1.954 . . . . 6.0 116.276 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -104.34 -18.07 14.57 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.67 1.359 . . . . 6.0 114.67 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 815' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 362' ' ' HIS . 0.9 OUTLIER -62.88 -43.01 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.427 1.091 . . . . 6.0 111.614 176.366 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 19.3 tpp . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 127.479 2.312 . . . . 6.0 114.447 -171.877 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 115.027 1.491 . . . . 6.0 115.027 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.94 -43.9 19.27 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 124.719 3.612 . . . . 6.0 115.935 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.3 -42.53 59.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.425 -0.797 . . . . 6.0 112.133 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -41.35 96.66 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.307 -0.871 . . . . 6.0 110.025 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -55.57 -45.25 77.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.839 1.656 . . . . 6.0 110.333 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -60.76 -40.88 94.17 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.185 0.994 . . . . 6.0 111.695 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.31 -49.59 76.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.249 1.203 . . . . 6.0 114.249 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.21 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.436 1.471 . . . . 6.0 110.735 175.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.46 -46.31 83.8 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.231 0.923 . . . . 6.0 112.169 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.99 -47.92 81.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.248 1.019 . . . . 6.0 111.754 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.36 -45.14 89.05 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.699 1.136 . . . . 6.0 111.254 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 61.8 tp -54.17 -48.13 71.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.99 0.916 . . . . 6.0 111.209 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.6 t -68.53 -38.6 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.727 0.64 . . . . 6.0 112.727 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.415 HD21 HD12 ' A' ' 381' ' ' LEU . 13.2 mt -60.82 -40.89 94.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.265 0.939 . . . . 6.0 110.87 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.44 -47.12 83.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.299 0.64 . . . . 6.0 110.178 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.98 -40.23 72.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.802 0.841 . . . . 6.0 112.222 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -65.12 -57.54 8.34 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.478 0.581 . . . . 6.0 110.077 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.48 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.501 1.296 . . . . 6.0 114.501 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.05 -44.22 64.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.962 1.305 . . . . 6.0 112.31 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -90.05 -36.19 15.05 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.216 1.406 . . . . 6.0 111.64 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.72 -35.9 77.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.596 1.089 . . . . 6.0 112.511 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 CA--C 1.544 0.728 0 O-C-N 120.666 -1.271 . . . . 6.0 110.446 173.807 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.111 0 CA-C-O 119.034 -0.508 . . . . 6.0 111.592 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.5 Cg_exo -45.41 -30.18 5.44 Favored 'Trans proline' 0 CA--C 1.54 0.789 1 C-N-CA 125.783 4.322 . . . . 6.0 118.283 -179.001 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -131.21 22.39 4.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.597 1.159 . . . . 6.0 113.879 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.96 -49.55 65.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.72 0.808 . . . . 6.0 111.14 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -35.63 75.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.622 1.169 . . . . 6.0 112.916 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 34.8 m -64.46 -50.38 67.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.512 1.125 . . . . 6.0 109.38 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.2 mmt -64.27 -45.19 89.16 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.794 0.837 . . . . 6.0 111.814 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -56.66 -42.59 79.22 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.367 0.985 . . . . 6.0 111.862 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -66.27 -45.08 81.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.228 0.611 . . . . 6.0 111.407 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.5 -43.86 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.996 0.918 . . . . 6.0 111.268 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.79 -46.77 77.46 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.576 1.55 . . . . 6.0 112.454 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -60.46 -41.11 93.45 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.877 -0.514 . . . . 6.0 111.034 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -63.0 -53.93 46.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.039 0.936 . . . . 6.0 110.611 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.8 mtp -48.65 -40.07 26.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.987 2.115 . . . . 6.0 113.162 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 124.976 1.31 . . . . 6.0 113.872 -179.05 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 108.691 -0.855 . . . . 6.0 108.691 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.69 -29.02 36.95 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.007 1.484 . . . . 6.0 115.007 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.04 -24.56 21.15 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.899 1.444 . . . . 6.0 114.899 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.57 -69.25 0.13 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.792 1.637 . . . . 6.0 112.813 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.28 70.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.26 0.837 . . . . 6.0 113.26 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.466 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.0 m -66.42 -47.87 71.84 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.99 -0.444 . . . . 6.0 111.56 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -58.62 -48.19 81.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.127 1.371 . . . . 6.0 111.409 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -51.04 -38.0 48.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.959 1.304 . . . . 6.0 112.401 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -82.82 -40.75 19.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.916 0.886 . . . . 6.0 112.273 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -44.32 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.119 -0.988 . . . . 6.0 112.234 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.4 mt -56.39 -46.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.105 1.762 . . . . 6.0 111.415 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 65.6 m -57.18 -28.08 62.49 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.317 1.229 . . . . 6.0 114.317 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.21 -56.59 5.76 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.293 0.952 . . . . 6.0 111.051 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -58.78 -33.71 70.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.077 0.951 . . . . 6.0 112.004 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -60.55 -16.49 38.15 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.051 1.741 . . . . 6.0 114.639 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -130.95 -26.14 2.2 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.663 1.727 . . . . 6.0 115.663 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 38.0 t -70.25 131.19 43.82 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.792 1.178 . . . . 6.0 112.555 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 81.6 p -129.79 5.44 5.04 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.659 1.583 . . . . 6.0 114.301 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.69 164.29 10.05 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.82 1.248 . . . . 6.0 113.672 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -107.1 1.75 24.44 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.582 1.553 . . . . 6.0 112.069 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -140.82 9.95 2.19 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.348 1.61 . . . . 6.0 115.348 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.3 t -55.01 125.29 56.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.423 1.089 . . . . 6.0 109.594 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -43.09 60.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.006 2.47 . . . . 6.0 112.42 -177.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.7 t -83.09 -52.24 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 117.032 -1.461 . . . . 6.0 111.749 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 77.7 m -70.68 -27.09 63.76 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 121.49 1.95 . . . . 6.0 115.734 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.7 tp -38.25 -55.21 2.47 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 121.796 2.089 . . . . 6.0 115.144 -176.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.17 -37.06 99.08 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 121.963 1.775 . . . . 6.0 113.598 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.75 -43.83 57.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.246 1.384 . . . . 6.0 111.753 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -57.52 -35.96 70.94 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 6.0 109.134 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -75.12 -47.05 30.53 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.038 1.735 . . . . 6.0 111.072 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 125.809 1.644 . . . . 6.0 113.141 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 CA--C 1.543 0.676 0 CA-C-O 119.031 -0.509 . . . . 6.0 111.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -59.03 158.67 24.43 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.938 2.425 . . . . 6.0 112.7 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -65.44 105.37 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.787 1.235 . . . . 6.0 113.614 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.31 125.25 11.81 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.624 2.37 . . . . 6.0 111.077 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -47.1 129.34 15.17 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.494 2.796 . . . . 6.0 114.391 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -54.11 -32.1 54.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.066 1.346 . . . . 6.0 113.979 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -77.11 -28.72 54.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.476 1.11 . . . . 6.0 113.017 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.7 mt -90.24 -32.52 16.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.341 1.237 . . . . 6.0 114.341 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -56.36 -29.41 61.37 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.206 1.367 . . . . 6.0 113.495 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -79.86 -9.97 59.73 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.655 1.582 . . . . 6.0 114.426 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 410' ' ' SER . 20.2 mt -64.38 138.41 58.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.79 1.177 . . . . 6.0 110.767 177.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -72.57 101.35 2.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.256 0.622 . . . . 6.0 110.538 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -7.45 57.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.072 1.349 . . . . 6.0 114.112 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.0 -47.93 95.87 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.586 1.539 . . . . 6.0 112.674 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.29 -33.58 89.4 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.456 2.104 . . . . 6.0 111.938 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 23.1 mtt -64.07 -17.4 63.35 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.585 0.957 . . . . 6.0 113.585 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -55.48 -22.93 23.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.991 1.269 . . . . 6.0 114.356 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.7 pt -62.5 -30.55 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 119.52 1.055 . . . . 6.0 111.324 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -84.65 -10.5 57.27 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.32 1.848 . . . . 6.0 114.138 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -48.08 -23.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 117.478 2.399 . . . . 6.0 117.478 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.63 33.12 1.63 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.48 1.512 . . . . 6.0 112.038 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.5 m -130.77 21.55 5.02 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.103 1.89 . . . . 6.0 116.103 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.39 154.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.991 0.814 . . . . 6.0 112.664 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -121.52 84.78 2.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.232 2.213 . . . . 6.0 109.29 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.79 -37.36 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.121 1.368 . . . . 6.0 112.527 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.7 mt-10 -90.95 -19.83 22.84 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.122 1.897 . . . . 6.0 116.122 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -104.79 -16.71 14.84 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.923 1.453 . . . . 6.0 114.923 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -43.96 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.218 1.007 . . . . 6.0 111.015 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 125.906 1.683 . . . . 6.0 113.631 -174.042 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 112.383 0.512 . . . . 6.0 112.383 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.09 -31.22 74.17 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.043 3.162 . . . . 6.0 115.738 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.16 -42.77 20.36 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.465 -0.772 . . . . 6.0 111.332 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -59.27 -45.26 91.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.701 -0.624 . . . . 6.0 109.896 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -48.48 -44.64 35.97 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.366 1.467 . . . . 6.0 111.563 177.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -65.84 -44.21 86.2 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.785 0.72 . . . . 6.0 111.933 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 47.8 mt -56.19 -44.12 79.13 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.04 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 119.836 1.198 . . . . 6.0 111.039 173.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -57.21 -50.29 73.33 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.499 1.499 . . . . 6.0 112.804 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -59.64 -47.01 87.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.303 1.441 . . . . 6.0 111.858 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -64.66 -44.26 90.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.426 1.012 . . . . 6.0 111.27 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.66 -52.94 58.34 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.576 0.75 . . . . 6.0 110.596 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.98 -41.49 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 113.019 0.748 . . . . 6.0 113.019 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -57.82 -40.33 79.71 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.942 0.792 . . . . 6.0 111.527 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.22 -45.67 79.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.486 0.714 . . . . 6.0 111.288 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.54 -41.96 77.69 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.531 0.733 . . . . 6.0 111.06 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -63.9 -59.63 4.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.401 0.62 . . . . 6.0 109.961 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.4 66.65 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 117.492 2.405 . . . . 6.0 117.492 -174.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -64.19 -49.01 73.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.875 1.67 . . . . 6.0 111.996 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.47 63.22 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.384 -0.823 . . . . 6.0 111.715 174.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.38 -32.06 70.86 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.469 0.577 . . . . 6.0 110.768 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? . . . . . 0 CA--C 1.536 0.419 0 O-C-N 120.208 -1.557 . . . . 6.0 108.775 173.508 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.116 0 CA-C-O 118.622 -0.704 . . . . 6.0 109.289 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 84.2 Cg_exo -47.01 -28.47 7.27 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 125.11 3.873 . . . . 6.0 117.663 -177.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -131.4 23.29 4.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.812 1.245 . . . . 6.0 113.556 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.0 -49.34 66.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 6.0 111.183 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.92 74.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.326 1.051 . . . . 6.0 113.168 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.1 m -64.95 -51.0 64.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.463 1.105 . . . . 6.0 109.242 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.13 -44.01 93.53 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.976 0.91 . . . . 6.0 112.143 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -57.28 -43.08 82.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.98 0.912 . . . . 6.0 111.298 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -65.97 -42.37 89.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.292 0.637 . . . . 6.0 112.138 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.96 -46.51 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.038 0.935 . . . . 6.0 110.923 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.08 -45.07 86.78 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.646 1.179 . . . . 6.0 111.459 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.01 -43.0 81.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.944 -0.473 . . . . 6.0 110.833 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -61.22 -54.77 39.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.276 0.63 . . . . 6.0 109.984 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 80.3 mtp -52.25 -38.76 59.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.409 . . . . 6.0 113.467 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.288 1.435 . . . . 6.0 113.593 -179.128 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 108.367 -0.975 . . . . 6.0 108.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.0 59.4 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.981 1.845 . . . . 6.0 115.981 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.31 -27.91 38.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 12.0 t -55.96 -70.23 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.407 1.483 . . . . 6.0 113.958 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.85 74.48 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.746 -0.596 . . . . 6.0 112.156 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.464 ' HA ' HD22 ' B' ' 798' ' ' LEU . 49.2 m -62.09 -50.22 72.81 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.23 0.612 . . . . 6.0 110.899 177.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.9 m -59.6 -45.46 91.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.025 1.73 . . . . 6.0 112.187 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -32.57 66.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.735 1.214 . . . . 6.0 112.313 177.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.47 -47.16 12.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.542 1.137 . . . . 6.0 111.629 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -57.33 -43.69 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.182 1.393 . . . . 6.0 114.455 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.32 -49.55 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 6.0 111.057 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.2 t -61.0 -30.71 70.45 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.633 1.345 . . . . 6.0 114.633 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -57.81 -57.84 10.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.994 1.27 . . . . 6.0 110.989 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.9 -37.01 70.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.139 0.975 . . . . 6.0 113.305 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -69.69 -9.85 55.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.523 1.305 . . . . 6.0 114.523 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -126.83 -24.61 3.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.506 1.669 . . . . 6.0 115.506 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.81 108.35 2.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.796 1.238 . . . . 6.0 112.259 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.4 p -82.74 -11.64 58.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.935 1.294 . . . . 6.0 113.821 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.415 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 80.8 mtm180 -65.24 122.85 18.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.346 1.459 . . . . 6.0 113.047 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -75.96 -2.35 30.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.043 0.537 . . . . 6.0 112.193 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.57 17.51 5.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.488 1.515 . . . . 6.0 114.749 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' CYS . . . . . 0.415 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 19.2 t -55.73 134.19 72.23 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.049 0.94 . . . . 6.0 109.494 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.14 -23.75 77.84 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.481 2.12 . . . . 6.0 112.214 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.7 t -101.61 -51.28 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 117.236 -1.364 . . . . 6.0 111.359 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 66.5 m -69.07 -27.14 65.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 121.196 1.816 . . . . 6.0 115.386 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -38.39 -56.74 2.06 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 120.569 1.531 . . . . 6.0 114.485 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.76 -40.34 73.67 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.086 1.857 . . . . 6.0 113.649 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.94 -36.29 81.89 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.353 1.433 . . . . 6.0 110.97 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -66.6 -38.49 87.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.8 1.24 . . . . 6.0 109.017 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -67.58 -31.11 70.95 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.331 1.052 . . . . 6.0 111.733 170.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.422 1.489 . . . . 6.0 112.576 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 119.443 -0.313 . . . . 6.0 111.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -57.2 158.73 17.29 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.366 2.711 . . . . 6.0 112.22 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.62 107.28 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.62 1.168 . . . . 6.0 113.053 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.1 124.66 22.14 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.106 2.162 . . . . 6.0 110.892 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.26 126.48 17.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.794 2.996 . . . . 6.0 113.954 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -47.31 -44.62 23.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.775 1.63 . . . . 6.0 113.847 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -65.33 -25.74 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.677 1.191 . . . . 6.0 113.188 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.7 mt -90.13 -28.63 18.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.283 1.033 . . . . 6.0 112.092 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -60.31 -32.65 71.42 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.199 1.363 . . . . 6.0 111.055 174.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -64.24 -23.46 67.32 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.531 1.532 . . . . 6.0 113.24 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 410' ' ' SER . 50.1 mt -70.02 125.95 28.27 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.277 -0.889 . . . . 6.0 110.453 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -71.48 117.2 12.73 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.642 -1.244 . . . . 6.0 107.642 173.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -90.08 -3.69 57.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.918 1.687 . . . . 6.0 114.934 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -44.2 98.67 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 120.131 1.332 . . . . 6.0 112.938 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.71 -37.75 65.9 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.145 1.897 . . . . 6.0 111.587 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -17.83 63.36 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -51.47 -24.24 4.85 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.262 1.392 . . . . 6.0 114.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.6 pt -67.12 -26.15 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.63 0.772 . . . . 6.0 112.892 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -88.23 -9.9 51.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.814 2.045 . . . . 6.0 114.887 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -51.18 -21.59 2.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 117.957 2.577 . . . . 6.0 117.957 -172.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -140.72 30.53 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 6.0 113.232 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.8 18.75 5.11 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.616 1.71 . . . . 6.0 115.616 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.96 148.2 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 O-C-N 121.069 -1.019 . . . . 6.0 113.023 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -117.86 83.63 2.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.73 2.012 . . . . 6.0 107.844 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -43.92 -43.43 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.289 1.836 . . . . 6.0 112.8 -173.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 52.0 mt-10 -85.08 -19.73 31.47 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.966 1.839 . . . . 6.0 115.966 -176.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -99.38 -18.3 17.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.162 1.542 . . . . 6.0 115.162 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -41.39 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.833 1.253 . . . . 6.0 110.724 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 11.5 tpp . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 125.228 1.411 . . . . 6.0 111.818 -178.164 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 48.6 t0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 114.311 1.226 . . . . 6.0 114.311 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.56 -43.74 14.05 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 125.004 3.803 . . . . 6.0 116.452 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.82 -42.9 94.62 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.526 -0.734 . . . . 6.0 111.671 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -37.39 73.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.207 1.403 . . . . 6.0 112.388 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.455 HH11 HE22 ' A' ' 354' ' ' GLN . 2.8 tmm_? -52.41 -43.24 64.69 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.23 1.412 . . . . 6.0 112.659 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -69.95 -35.54 74.58 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.589 0.631 . . . . 6.0 112.603 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' B' ' 807' ' ' ARG . 52.3 mt -60.65 -45.22 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.468 1.284 . . . . 6.0 114.468 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -41.6 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 120.439 1.472 . . . . 6.0 110.49 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.455 HE22 HH11 ' A' ' 350' ' ' ARG . 98.2 mt-30 -55.95 -44.55 78.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.288 0.949 . . . . 6.0 112.918 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.62 -47.51 72.42 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.222 -0.894 . . . . 6.0 112.121 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -63.34 -43.6 97.25 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.35 1.432 . . . . 6.0 110.765 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 45.5 tp -53.85 -54.94 31.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.803 0.841 . . . . 6.0 111.205 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.465 HG21 HG23 ' B' ' 812' ' ' ILE . 20.7 t -61.29 -40.21 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 112.569 0.581 . . . . 6.0 112.569 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.83 -41.18 86.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.395 0.543 . . . . 6.0 111.91 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.05 -46.8 76.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.825 . . . . 6.0 111.401 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 77.1 mt -57.16 -40.72 77.8 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.004 0.921 . . . . 6.0 110.741 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -65.09 -60.99 2.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.331 0.653 . . . . 6.0 110.835 174.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -50.35 -36.67 33.34 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.889 1.676 . . . . 6.0 114.708 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -65.93 -52.61 48.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.755 1.162 . . . . 6.0 111.375 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -60.77 -32.21 71.54 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.14 -0.975 . . . . 6.0 111.746 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.83 -41.43 64.86 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.125 1.37 . . . . 6.0 110.583 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? . . . . . 0 CA--C 1.54 0.59 0 O-C-N 120.163 -1.586 . . . . 6.0 110.688 174.853 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.194 0 CA-C-O 118.465 -0.779 . . . . 6.0 109.477 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 381' ' ' LEU . 20.0 Cg_exo -41.31 -31.37 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 125.442 4.095 . . . . 6.0 118.322 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -128.61 21.15 6.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.084 1.354 . . . . 6.0 113.679 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.58 -49.59 64.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 6.0 109.628 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -64.78 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.955 1.302 . . . . 6.0 113.288 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.4 m -60.53 -50.28 74.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.151 0.98 . . . . 6.0 109.196 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -45.57 82.66 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.322 1.049 . . . . 6.0 111.079 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -57.22 -40.81 78.28 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.968 1.258 . . . . 6.0 112.573 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -62.67 -44.18 96.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.274 0.629 . . . . 6.0 111.276 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.47 -41.09 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.421 1.089 . . . . 6.0 111.452 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.24 -49.45 67.17 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.39 1.876 . . . . 6.0 112.296 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.45 -41.11 88.9 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.774 -0.579 . . . . 6.0 110.517 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -60.23 -54.2 48.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.524 0.729 . . . . 6.0 110.395 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.7 mtp -51.55 -38.85 56.23 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.122 1.769 . . . . 6.0 113.318 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.584 1.154 . . . . 6.0 113.14 -179.391 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 107.668 -1.234 . . . . 6.0 107.668 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.62 -43.54 36.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.319 1.6 . . . . 6.0 115.319 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -80.99 -26.84 36.22 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 117.586 -1.197 . . . . 6.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 32.8 t -59.39 -66.97 0.42 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.518 1.527 . . . . 6.0 113.881 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.01 72.26 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.618 -0.677 . . . . 6.0 112.202 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.423 ' HA ' HD22 ' B' ' 798' ' ' LEU . 31.7 m -65.22 -46.95 78.56 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.796 0.438 . . . . 6.0 110.551 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.3 m -58.78 -46.48 87.42 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.355 . . . . 6.0 112.394 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -51.67 -43.5 62.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.182 0.993 . . . . 6.0 111.972 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -75.52 -46.86 29.73 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.814 0.846 . . . . 6.0 111.951 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -55.95 -46.91 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.613 1.165 . . . . 6.0 113.101 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.87 -54.04 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.979 1.311 . . . . 6.0 110.041 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.9 m -57.2 -26.49 60.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.199 1.185 . . . . 6.0 114.199 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -64.13 -64.8 0.79 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.107 0.867 . . . . 6.0 109.846 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -56.67 -38.59 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.889 1.276 . . . . 6.0 113.768 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -65.75 -10.05 33.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -129.97 -21.49 3.0 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.477 1.658 . . . . 6.0 115.477 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 36.6 t -64.34 109.78 2.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.855 1.262 . . . . 6.0 113.536 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 37.8 p -87.12 -10.83 51.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.1 1.36 . . . . 6.0 113.348 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.418 ' NH1' ' SG ' ' A' ' 421' ' ' CYS . 10.0 mtp-105 -65.63 105.23 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.724 1.61 . . . . 6.0 112.082 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -66.42 -6.93 16.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.366 1.067 . . . . 6.0 113.228 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.65 10.46 9.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.017 1.727 . . . . 6.0 113.971 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.7 t -54.28 130.94 61.27 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.236 1.014 . . . . 6.0 109.357 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.68 -46.45 26.83 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.619 2.213 . . . . 6.0 110.919 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.23 -53.86 17.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 117.669 -1.158 . . . . 6.0 111.419 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.584 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 63.3 m -68.94 -29.42 67.66 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 115.973 1.842 . . . . 6.0 115.973 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.6 tp -42.09 -54.0 7.87 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 120.933 1.697 . . . . 6.0 115.461 -174.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.79 -37.03 98.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 122.153 1.805 . . . . 6.0 112.917 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.7 -41.42 65.29 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.953 1.251 . . . . 6.0 111.617 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.584 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.3 mttt -63.16 -23.72 67.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.161 1.384 . . . . 6.0 110.755 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -84.8 -47.6 10.22 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.754 1.622 . . . . 6.0 109.828 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 126.942 2.097 . . . . 6.0 113.1 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -57.13 157.18 21.84 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.946 2.431 . . . . 6.0 113.571 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -61.6 109.17 1.12 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.395 1.478 . . . . 6.0 112.497 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.57 129.87 70.38 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 126.571 1.948 . . . . 6.0 111.758 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -55.68 121.1 9.36 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.583 2.189 . . . . 6.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -27.01 66.66 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.137 1.532 . . . . 6.0 115.137 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -67.09 -25.9 66.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.532 1.06 . . . . 6.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.8 mt -90.36 -27.07 19.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.816 1.247 . . . . 6.0 112.414 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.34 -36.73 73.85 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 120.167 1.349 . . . . 6.0 110.863 174.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.21 -16.85 63.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.236 1.414 . . . . 6.0 114.403 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 410' ' ' SER . 26.0 mt -68.04 124.7 24.12 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.978 1.263 . . . . 6.0 109.2 175.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -68.12 109.88 3.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.751 -0.833 . . . . 6.0 108.751 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -4.36 58.87 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 115.332 1.604 . . . . 6.0 115.332 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.88 -45.89 99.83 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 120.333 1.424 . . . . 6.0 113.076 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -35.4 80.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.996 1.798 . . . . 6.0 112.487 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -18.21 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.383 1.073 . . . . 6.0 113.582 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -52.21 -24.23 6.87 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.075 1.307 . . . . 6.0 114.14 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.2 pt -67.15 -25.62 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 118.822 0.737 . . . . 6.0 112.472 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -89.28 -10.25 47.57 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 6.0 114.179 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 807' ' ' ARG . . . . . 0.406 ' HB2' HD21 ' A' ' 352' ' ' LEU . 47.4 tpt85 -47.34 -27.3 1.55 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.914 2.19 . . . . 6.0 116.914 -174.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.32 32.03 2.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 6.0 112.42 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.0 m -127.72 19.01 6.73 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 -174.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -145.02 153.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.29 1.036 . . . . 6.0 112.207 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -124.5 87.79 2.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.89 2.076 . . . . 6.0 108.287 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.465 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -45.89 -40.54 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.034 1.734 . . . . 6.0 113.067 -172.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 38.7 mt-10 -87.62 -19.96 27.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.225 1.935 . . . . 6.0 116.225 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -91.79 -24.95 19.25 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -45.12 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.859 1.264 . . . . 6.0 112.471 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.454 1.101 . . . . 6.0 113.71 -174.29 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 CA--C 1.55 0.975 0 CA-C-O 118.606 -0.712 . . . . 6.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.28 -44.54 42.47 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.213 3.275 . . . . 6.0 116.284 -176.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -71.09 -48.63 51.34 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.307 -0.87 . . . . 6.0 112.13 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -40.77 96.87 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.789 -0.57 . . . . 6.0 110.019 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.53 -46.1 77.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.547 1.539 . . . . 6.0 111.395 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.76 -42.89 99.56 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.167 0.894 . . . . 6.0 111.631 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.69 -49.03 74.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.881 1.067 . . . . 6.0 113.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -41.5 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 120.607 1.549 . . . . 6.0 111.526 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.69 -45.53 81.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.99 1.268 . . . . 6.0 112.403 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.72 -48.07 78.55 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.501 1.12 . . . . 6.0 111.676 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.78 -43.74 95.45 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.275 1.398 . . . . 6.0 110.789 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.21 -54.17 43.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.897 0.879 . . . . 6.0 110.747 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.442 HG21 HG23 ' B' ' 812' ' ' ILE . 24.9 t -64.49 -38.17 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.256 0.836 . . . . 6.0 113.256 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.88 -39.41 85.21 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.066 0.848 . . . . 6.0 110.874 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.1 -45.57 84.65 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.598 0.636 . . . . 6.0 110.439 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.06 -42.65 76.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.182 0.593 . . . . 6.0 111.603 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.63 -59.65 4.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.031 0.443 . . . . 6.0 110.345 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.43 65.68 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.586 1.328 . . . . 6.0 114.586 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -55.81 -48.02 76.16 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.439 1.018 . . . . 6.0 111.442 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -80.53 -36.86 32.55 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.535 0.734 . . . . 6.0 111.594 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.33 -34.81 75.88 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.448 1.022 . . . . 6.0 111.863 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 . . . . . 0 CA--C 1.539 0.524 0 O-C-N 120.861 -1.149 . . . . 6.0 110.094 173.492 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 119.01 -0.519 . . . . 6.0 112.122 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 381' ' ' LEU . 67.2 Cg_exo -46.04 -29.81 6.65 Favored 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.72 4.28 . . . . 6.0 117.733 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.06 19.92 6.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.052 1.341 . . . . 6.0 113.82 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.13 -51.92 60.4 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.633 0.652 . . . . 6.0 110.733 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.74 72.88 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.826 1.046 . . . . 6.0 113.826 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 28.0 m -65.27 -50.09 67.07 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.036 1.335 . . . . 6.0 108.96 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.65 -45.99 77.18 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.176 0.99 . . . . 6.0 111.989 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -54.08 -40.86 67.6 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.951 1.251 . . . . 6.0 112.056 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.73 -47.47 80.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.675 0.79 . . . . 6.0 111.683 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.24 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.848 1.259 . . . . 6.0 111.845 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 51.6 mt -67.08 -49.35 65.36 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.04 1.736 . . . . 6.0 111.501 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -57.88 -42.83 85.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.874 -0.516 . . . . 6.0 110.72 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -59.74 -53.82 53.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.803 0.841 . . . . 6.0 110.553 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -36.06 58.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.088 1.755 . . . . 6.0 113.882 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 6.0 112.955 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 108.522 -0.918 . . . . 6.0 108.522 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.57 45.32 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.215 1.561 . . . . 6.0 115.215 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -85.75 -19.24 31.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.216 1.191 . . . . 6.0 114.216 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 9.6 t -66.45 -63.49 1.06 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.22 1.373 . . . . 6.0 110.453 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.44 66.7 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.4 p -70.01 -52.93 20.2 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.083 0.402 . . . . 6.0 110.923 175.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.8 m -51.47 -45.92 62.93 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.143 0.977 . . . . 6.0 112.529 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -49.7 -39.26 36.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.175 1.79 . . . . 6.0 112.541 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 4.6 tp-100 -90.01 -40.37 12.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.893 1.277 . . . . 6.0 112.39 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -56.83 -42.33 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.252 1.021 . . . . 6.0 111.838 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.93 -54.23 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.073 1.349 . . . . 6.0 109.67 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.3 m -50.45 -24.99 3.47 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.974 1.472 . . . . 6.0 114.974 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -73.16 -57.91 3.68 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.494 1.043 . . . . 6.0 111.229 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -58.11 -32.34 68.0 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.882 0.873 . . . . 6.0 112.14 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.75 -9.9 53.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.885 1.674 . . . . 6.0 113.798 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.34 -27.99 1.72 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.054 1.872 . . . . 6.0 116.054 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 6.3 t -65.44 168.47 7.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.835 1.303 . . . . 6.0 113.404 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.0 t -163.05 -24.78 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.438 1.895 . . . . 6.0 112.988 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -47.46 116.25 1.38 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.646 1.978 . . . . 6.0 112.141 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -66.21 -7.95 21.42 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.46 15.24 7.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.93 1.292 . . . . 6.0 113.155 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.29 125.82 59.81 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.033 -1.469 . . . . 6.0 107.033 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.72 -41.79 36.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.092 1.861 . . . . 6.0 111.66 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.92 -52.26 18.35 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 124.277 1.031 . . . . 6.0 111.147 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.617 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 71.8 m -69.85 -28.93 66.08 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 115.444 1.646 . . . . 6.0 115.444 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.4 tp -41.61 -53.94 7.02 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 121.164 1.802 . . . . 6.0 115.183 -174.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.81 -35.09 98.96 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 122.068 1.774 . . . . 6.0 113.485 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.47 -43.65 63.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.502 1.501 . . . . 6.0 110.647 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.617 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 46.5 mttt -61.42 -18.77 60.36 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.883 1.673 . . . . 6.0 111.072 175.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -90.14 -45.3 9.21 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.654 1.982 . . . . 6.0 110.623 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 127.461 2.304 . . . . 6.0 113.49 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 109.716 -0.475 . . . . 6.0 109.716 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.65 158.33 16.66 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 122.715 2.276 . . . . 6.0 113.152 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.46 108.89 1.21 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.234 1.813 . . . . 6.0 113.819 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.65 123.84 69.49 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.958 1.703 . . . . 6.0 110.827 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -51.88 125.85 18.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.001 2.467 . . . . 6.0 113.035 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.31 -40.01 61.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.541 1.137 . . . . 6.0 113.984 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.97 -27.54 69.47 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.113 0.965 . . . . 6.0 112.624 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.1 mt -90.24 -29.25 18.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.57 1.148 . . . . 6.0 112.601 172.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -58.11 -36.94 73.62 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.113 1.324 . . . . 6.0 110.093 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -61.51 -28.73 69.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.208 1.803 . . . . 6.0 113.701 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.5 mt -64.99 129.09 38.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.122 0.874 . . . . 6.0 111.393 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -70.52 109.43 4.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.177 -0.675 . . . . 6.0 109.177 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.1 -6.67 58.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.637 1.347 . . . . 6.0 114.637 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.14 -47.52 98.93 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 120.481 1.491 . . . . 6.0 113.782 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.94 -30.73 77.18 Favored 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 121.49 1.568 . . . . 6.0 112.253 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.5 mtt -67.23 -16.9 64.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.977 1.311 . . . . 6.0 113.738 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -52.11 -23.3 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 18.4 pt -66.53 -28.74 44.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.443 0.697 . . . . 6.0 112.459 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.92 -11.38 53.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.082 1.753 . . . . 6.0 114.595 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -49.27 -23.72 1.5 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 117.548 2.425 . . . . 6.0 117.548 -173.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -140.63 34.38 1.82 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.09 1.356 . . . . 6.0 111.52 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.7 m -131.29 19.69 4.84 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.373 1.62 . . . . 6.0 115.373 -173.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.82 154.86 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.134 0.974 . . . . 6.0 112.351 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -126.11 84.86 2.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.966 2.107 . . . . 6.0 108.556 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.442 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -44.85 -42.25 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.332 1.853 . . . . 6.0 113.321 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.5 mt-10 -86.74 -19.91 28.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 6.0 115.625 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -94.76 -25.03 16.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.438 1.273 . . . . 6.0 114.438 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -44.2 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.735 1.214 . . . . 6.0 111.677 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 30.9 tpp . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 125.896 1.679 . . . . 6.0 114.151 -173.547 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.558 1.268 0 N-CA-C 113.92 1.081 . . . . 6.0 113.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.24 -41.83 69.52 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.439 3.426 . . . . 6.0 115.045 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.95 -47.41 71.71 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.474 -0.766 . . . . 6.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -60.4 -47.21 87.05 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.79 0.436 . . . . 6.0 110.275 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -45.54 52.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.238 1.415 . . . . 6.0 111.4 176.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -67.52 -24.35 65.55 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.023 1.12 . . . . 6.0 114.023 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 807' ' ' ARG . 67.8 mt -75.67 -51.84 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.183 1.356 . . . . 6.0 112.378 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -38.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.063 0.847 . . . . 6.0 110.585 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -53.56 -52.91 58.22 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.049 0.84 . . . . 6.0 112.594 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.58 -40.74 89.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.154 -0.927 . . . . 6.0 112.91 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.22 -43.66 94.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.136 1.334 . . . . 6.0 111.049 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.18 -53.33 58.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.834 0.854 . . . . 6.0 110.695 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 29.3 t -62.19 -40.12 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 112.909 0.707 . . . . 6.0 112.909 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 381' ' ' LEU . 12.1 mt -60.04 -40.49 89.57 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.612 0.642 . . . . 6.0 111.84 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.64 -45.35 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.786 0.721 . . . . 6.0 110.559 175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.3 -44.65 80.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.608 0.763 . . . . 6.0 111.098 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -63.02 -55.19 27.77 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.22 0.464 . . . . 6.0 110.901 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.38 -36.46 63.91 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.426 1.269 . . . . 6.0 114.426 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.38 -57.97 10.5 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.027 0.83 . . . . 6.0 110.509 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -41.31 68.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.936 1.295 . . . . 6.0 110.637 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.29 -36.73 82.15 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 122.075 -0.391 . . . . 6.0 111.715 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.953 0 O-C-N 120.741 -1.224 . . . . 6.0 108.557 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 N-CA-C 112.328 0.492 . . . . 6.0 112.328 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 62.4 Cg_exo -45.5 -25.24 2.13 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 126.261 4.641 . . . . 6.0 118.291 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.38 17.82 4.43 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.047 1.339 . . . . 6.0 114.435 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.7 t -53.81 -51.4 63.61 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.085 0.857 . . . . 6.0 110.887 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -38.21 74.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.511 1.524 . . . . 6.0 113.365 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 38.1 m -63.49 -50.39 69.83 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.285 1.034 . . . . 6.0 109.457 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.3 mmt -65.73 -42.77 90.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.102 1.361 . . . . 6.0 112.657 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.91 -42.79 85.48 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.352 0.978 . . . . 6.0 110.926 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.8 -39.92 91.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.412 0.685 . . . . 6.0 112.057 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.25 -46.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.031 0.932 . . . . 6.0 110.737 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.13 -46.71 86.0 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.659 1.184 . . . . 6.0 111.27 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.95 -42.26 89.39 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.779 -0.576 . . . . 6.0 111.04 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -60.05 -53.67 55.01 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.62 0.645 . . . . 6.0 109.672 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.8 mtp -52.57 -41.68 63.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.239 1.416 . . . . 6.0 112.4 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 125.593 1.557 . . . . 6.0 113.613 179.109 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 108.801 -0.814 . . . . 6.0 108.801 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.22 -42.8 20.9 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.542 2.053 . . . . 6.0 116.542 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -89.95 -21.97 22.18 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.73 -70.57 0.17 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.162 1.385 . . . . 6.0 113.807 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.04 69.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.478 -0.764 . . . . 6.0 112.297 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.477 ' HA ' HD22 ' B' ' 798' ' ' LEU . 54.8 m -64.28 -49.51 71.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.25 0.62 . . . . 6.0 111.068 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -60.26 -43.11 96.45 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.402 1.481 . . . . 6.0 112.173 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -52.42 -48.85 65.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.018 0.927 . . . . 6.0 110.881 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.68 -44.08 71.21 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.157 0.983 . . . . 6.0 112.292 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.99 -44.21 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.302 -0.874 . . . . 6.0 113.345 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.61 -43.07 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.695 1.198 . . . . 6.0 109.35 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.9 m -59.27 -27.28 65.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -67.69 -52.33 39.05 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.022 1.283 . . . . 6.0 110.868 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.79 -33.83 70.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.368 1.067 . . . . 6.0 112.4 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -65.29 -12.66 53.92 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.721 1.378 . . . . 6.0 114.721 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -128.23 -30.24 2.42 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.551 1.686 . . . . 6.0 115.551 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.8 t -69.51 143.64 53.39 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.743 1.156 . . . . 6.0 113.379 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.5 p -138.61 -6.85 1.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.427 1.891 . . . . 6.0 113.134 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -63.21 116.23 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.439 1.896 . . . . 6.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -65.55 -9.1 23.57 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.47 1.656 . . . . 6.0 115.47 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -124.1 14.23 9.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.785 1.234 . . . . 6.0 113.846 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.6 126.76 76.57 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 106.799 -1.556 . . . . 6.0 106.799 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -64.41 -38.62 32.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.049 1.833 . . . . 6.0 112.747 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.49 -47.65 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 118.682 -0.675 . . . . 6.0 110.252 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.714 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 72.5 m -70.0 -30.35 67.66 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.726 1.38 . . . . 6.0 114.726 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -38.37 -57.44 1.84 Allowed Pre-proline 0 N--CA 1.478 0.956 0 CA-C-N 121.052 1.751 . . . . 6.0 114.474 -175.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.2 -35.09 93.31 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 121.761 1.641 . . . . 6.0 113.579 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.26 -40.96 74.07 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.329 1.422 . . . . 6.0 110.667 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.714 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.3 mttt -61.89 -34.66 76.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.549 1.54 . . . . 6.0 109.551 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -69.17 -51.92 33.3 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.137 0.881 . . . . 6.0 110.007 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 126.778 2.031 . . . . 6.0 114.593 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 118.948 -0.549 . . . . 6.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -59.39 162.3 14.98 Favored 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 123.596 2.864 . . . . 6.0 114.07 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.23 112.57 2.45 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.007 2.123 . . . . 6.0 114.178 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -59.22 123.42 69.77 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 125.646 1.579 . . . . 6.0 111.268 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -51.92 125.46 17.22 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.388 2.725 . . . . 6.0 113.643 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -48.13 -41.31 26.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.218 1.807 . . . . 6.0 114.611 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.16 -25.46 64.38 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.41 1.084 . . . . 6.0 113.328 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.8 mt -90.05 -26.94 20.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.265 1.026 . . . . 6.0 112.056 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -56.28 -36.51 68.69 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.706 1.139 . . . . 6.0 112.015 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -72.73 -11.78 60.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 6.0 114.478 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.3 mt -70.49 138.47 51.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.577 1.08 . . . . 6.0 111.113 177.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -74.06 103.07 4.4 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.457 0.703 . . . . 6.0 110.308 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.3 p -87.09 -10.69 52.25 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.651 1.181 . . . . 6.0 114.071 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.94 -47.65 98.51 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 120.245 1.384 . . . . 6.0 113.681 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.48 -23.12 23.88 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.142 1.895 . . . . 6.0 111.475 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.7 mtt -67.54 -16.44 64.19 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.313 1.045 . . . . 6.0 113.333 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.04 -22.11 9.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.898 1.444 . . . . 6.0 114.898 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.1 pt -63.63 -28.99 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.122 0.874 . . . . 6.0 111.808 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.89 -13.63 50.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.902 1.681 . . . . 6.0 114.142 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 807' ' ' ARG . . . . . 0.414 ' HB2' HD21 ' A' ' 352' ' ' LEU . 16.6 ttp85 -47.01 -28.27 1.59 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.206 2.299 . . . . 6.0 117.206 -172.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -141.31 33.52 1.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.445 1.498 . . . . 6.0 112.116 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 809' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 7.5 m -126.61 19.94 7.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.151 1.537 . . . . 6.0 115.151 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.6 t -143.56 157.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.175 0.99 . . . . 6.0 112.419 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -123.05 82.75 2.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.862 2.065 . . . . 6.0 108.693 175.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.6 mt -47.63 -38.46 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.573 1.549 . . . . 6.0 112.46 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 76.6 mt-10 -89.67 -19.8 24.41 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.588 1.699 . . . . 6.0 115.588 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -100.19 -20.89 15.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.108 1.522 . . . . 6.0 115.108 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -42.68 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.513 1.125 . . . . 6.0 111.705 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.9 tpp . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 126.269 1.827 . . . . 6.0 115.824 -171.798 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.553 1.063 0 N-CA-C 115.621 1.711 . . . . 6.0 115.621 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.18 -42.38 33.18 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.855 3.703 . . . . 6.0 115.022 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.424 ' CD ' ' HE ' ' B' ' 807' ' ' ARG . 6.1 tp10 -67.33 -48.28 67.99 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.08 0.952 . . . . 6.0 111.839 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -64.64 -44.11 91.54 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.52 -0.738 . . . . 6.0 110.867 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -54.49 -43.7 72.01 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.548 1.539 . . . . 6.0 110.573 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -62.46 -47.36 84.36 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.071 0.948 . . . . 6.0 110.611 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.23 -47.96 81.88 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -43.25 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.323 1.42 . . . . 6.0 110.988 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -53.85 -46.72 71.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.166 0.894 . . . . 6.0 112.553 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.28 -47.58 83.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.056 0.943 . . . . 6.0 111.672 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.41 -43.23 98.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.553 1.07 . . . . 6.0 110.822 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.74 -56.72 14.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 6.0 110.439 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.428 HG21 HG23 ' B' ' 812' ' ' ILE . 24.4 t -62.26 -38.79 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 113.389 0.885 . . . . 6.0 113.389 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 381' ' ' LEU . 11.9 mt -60.42 -40.53 91.37 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.112 0.869 . . . . 6.0 111.152 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 23.5 mt -65.01 -44.51 88.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.741 0.701 . . . . 6.0 110.428 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 78.9 mt -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.795 0.838 . . . . 6.0 111.457 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -66.65 -56.73 9.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.7 0.4 . . . . 6.0 110.279 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.82 -41.69 61.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.572 1.549 . . . . 6.0 114.785 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -61.58 -52.86 62.67 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.41 1.005 . . . . 6.0 110.863 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -61.73 -35.46 78.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.288 0.635 . . . . 6.0 111.769 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.39 -37.78 88.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.221 1.009 . . . . 6.0 110.939 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 CA--C 1.548 0.886 0 O-C-N 120.963 -1.086 . . . . 6.0 109.536 173.744 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.553 1.081 0 N-CA-C 112.958 0.725 . . . . 6.0 112.958 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 63.7 Cg_exo -46.09 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 125.899 4.399 . . . . 6.0 118.161 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -131.5 23.04 4.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.676 1.191 . . . . 6.0 113.649 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.31 -47.86 68.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.828 0.851 . . . . 6.0 111.72 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.99 77.04 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.436 1.094 . . . . 6.0 112.919 176.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 61.1 m -63.22 -50.54 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.775 1.23 . . . . 6.0 108.963 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -64.69 -45.02 88.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.624 1.169 . . . . 6.0 112.681 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -57.13 -44.19 83.11 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.315 0.961 . . . . 6.0 111.32 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.57 -40.53 92.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.372 0.669 . . . . 6.0 112.143 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.03 -45.44 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.104 0.962 . . . . 6.0 110.844 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.36 -46.95 84.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.524 1.13 . . . . 6.0 111.295 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.08 -42.97 86.7 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.845 -0.534 . . . . 6.0 111.127 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -60.29 -52.57 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.223 0.609 . . . . 6.0 110.142 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 73.4 mtp -53.76 -37.58 63.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.32 1.448 . . . . 6.0 112.789 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.571 1.549 . . . . 6.0 113.608 178.514 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 108.408 -0.96 . . . . 6.0 108.408 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.56 -41.18 66.2 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -83.13 -21.43 33.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.5 t -61.32 -68.2 0.34 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.206 1.366 . . . . 6.0 112.832 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.63 76.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.349 0.87 . . . . 6.0 113.349 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' SER . . . . . 0.486 ' HA ' HD22 ' B' ' 798' ' ' LEU . 28.4 p -64.84 -52.7 55.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.954 0.343 . . . . 6.0 110.474 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.2 m -54.37 -44.98 72.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.579 1.152 . . . . 6.0 112.523 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.5 -37.89 73.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 6.0 112.232 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 47.3 tp60 -76.03 -44.69 38.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.743 1.217 . . . . 6.0 112.306 174.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -44.21 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.167 1.387 . . . . 6.0 113.824 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.01 -44.73 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.973 1.309 . . . . 6.0 110.684 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 71.9 m -60.58 -21.4 62.57 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.658 1.725 . . . . 6.0 115.658 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -68.44 -55.56 11.45 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.539 1.518 . . . . 6.0 110.737 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -57.76 -32.02 67.07 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.017 1.327 . . . . 6.0 113.07 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.41 -12.53 61.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.835 1.42 . . . . 6.0 114.835 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -129.61 -30.93 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.466 1.654 . . . . 6.0 115.466 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.02 141.18 54.93 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.496 1.044 . . . . 6.0 112.971 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 64.7 p -134.5 -5.67 2.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.108 1.763 . . . . 6.0 113.413 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.48 118.81 8.05 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.75 1.62 . . . . 6.0 110.963 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -67.67 -8.81 37.98 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.349 1.611 . . . . 6.0 115.349 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.61 15.65 8.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.051 1.34 . . . . 6.0 113.317 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.85 127.62 68.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 107.692 -1.225 . . . . 6.0 107.692 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -61.3 -39.35 58.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.939 1.759 . . . . 6.0 112.055 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.12 -52.13 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.376 1.071 . . . . 6.0 111.582 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.702 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.9 m -70.28 -29.05 65.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 69.7 tp -42.48 -53.8 8.84 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 121.112 1.778 . . . . 6.0 115.042 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.01 -36.04 98.33 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.166 1.809 . . . . 6.0 113.203 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 -41.95 64.37 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.607 1.549 . . . . 6.0 111.478 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.702 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.6 mttt -62.13 -30.99 71.41 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.533 1.533 . . . . 6.0 109.741 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -77.33 -46.16 23.82 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.002 1.321 . . . . 6.0 110.547 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.543 1.937 . . . . 6.0 113.387 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 119.038 -0.506 . . . . 6.0 111.225 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.57 162.1 10.96 Favored 'Trans proline' 0 CA--C 1.55 1.297 0 C-N-CA 123.314 2.676 . . . . 6.0 114.251 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.22 109.5 1.14 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.743 2.017 . . . . 6.0 113.215 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 791' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' B' ' 792' ' ' PRO . 10.8 tp -61.56 139.29 95.11 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.994 1.317 . . . . 6.0 112.718 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 792' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' B' ' 791' ' ' LEU . 71.1 Cg_endo -69.62 121.14 7.86 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.758 2.972 . . . . 6.0 112.99 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -51.12 -36.64 41.62 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.072 1.349 . . . . 6.0 114.51 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.4 -31.69 73.01 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.615 -0.678 . . . . 6.0 112.725 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.98 -28.14 19.32 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.551 0.74 . . . . 6.0 112.861 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -54.79 -31.32 58.81 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.829 1.195 . . . . 6.0 112.766 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.49 -13.43 61.42 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.057 1.343 . . . . 6.0 114.061 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 798' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 410' ' ' SER . 52.5 mt -68.67 131.75 45.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.651 1.114 . . . . 6.0 111.377 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -72.33 111.93 7.96 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.141 -1.059 . . . . 6.0 108.141 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -89.42 -6.56 56.44 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.94 1.459 . . . . 6.0 114.94 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -57.65 -43.66 98.96 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.89 1.223 . . . . 6.0 112.969 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.59 -37.92 66.0 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.216 1.944 . . . . 6.0 112.062 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -17.07 60.96 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.788 1.033 . . . . 6.0 113.788 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -53.52 -24.13 12.45 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.288 1.404 . . . . 6.0 113.923 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -65.57 -28.4 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.315 0.961 . . . . 6.0 112.089 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -86.57 -10.69 53.44 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.427 1.891 . . . . 6.0 114.544 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 807' ' ' ARG . . . . . 0.424 ' HE ' ' CD ' ' A' ' 348' ' ' GLU . 4.7 ttt-85 -48.16 -24.8 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 117.833 2.531 . . . . 6.0 117.833 -173.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -140.95 35.48 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.86 1.264 . . . . 6.0 111.668 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.3 m -131.73 19.87 4.65 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.509 1.67 . . . . 6.0 115.509 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.6 152.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.752 0.821 . . . . 6.0 112.237 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -123.21 85.36 2.41 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.711 2.004 . . . . 6.0 108.408 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 812' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -46.13 -39.72 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.102 1.761 . . . . 6.0 112.839 -173.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 813' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.2 mt-10 -86.45 -19.89 28.95 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.924 1.824 . . . . 6.0 115.924 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.43 -24.77 17.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.536 1.31 . . . . 6.0 114.536 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -40.45 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.705 1.202 . . . . 6.0 112.388 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 15.4 tpp . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 6.0 113.843 -174.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 113.544 0.942 . . . . 6.0 113.544 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 60.4 p -136.52 -15.3 1.64 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.627 1.571 . . . . 6.0 114.105 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -76.7 176.25 52.79 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.302 0.953 . . . . 6.0 112.855 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -59.43 -16.13 33.72 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.913 3.075 . . . . 6.0 114.713 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 31.1 p -74.47 -15.36 60.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.489 1.515 . . . . 6.0 113.695 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -137.87 -37.37 0.59 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.662 1.185 . . . . 6.0 114.17 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.7 t0 20.05 86.64 0.07 OUTLIER Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 130.329 3.452 . . . . 6.0 115.597 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -48.32 -39.67 35.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.818 3.678 . . . . 6.0 115.416 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.73 -51.34 57.02 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.174 0.989 . . . . 6.0 110.987 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -64.24 -44.48 91.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.108 0.963 . . . . 6.0 111.783 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.94 -45.08 60.48 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.681 1.592 . . . . 6.0 110.886 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -67.18 -39.28 86.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.658 0.783 . . . . 6.0 112.246 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 807' ' ' ARG . 41.7 mt -60.13 -47.79 84.44 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -42.22 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.434 1.47 . . . . 6.0 110.865 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -54.21 -48.03 71.48 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.31 0.959 . . . . 6.0 112.698 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.02 -47.66 83.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.166 0.986 . . . . 6.0 111.728 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -63.77 -44.36 93.66 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.369 0.986 . . . . 6.0 111.162 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.34 -56.81 13.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.811 0.845 . . . . 6.0 109.998 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.419 HG21 HG23 ' B' ' 812' ' ' ILE . 24.2 t -60.75 -40.33 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 113.345 0.869 . . . . 6.0 113.345 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.78 -40.45 83.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.048 0.84 . . . . 6.0 111.507 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.94 -43.96 86.51 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.495 0.589 . . . . 6.0 110.877 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.32 -42.98 82.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.098 0.559 . . . . 6.0 111.336 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -62.45 -59.06 5.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.068 0.461 . . . . 6.0 110.011 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.87 67.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -55.7 -52.8 62.66 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 120.397 1.453 . . . . 6.0 111.489 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.12 -33.52 50.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 6.0 111.279 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.59 -35.49 79.71 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.976 0.807 . . . . 6.0 111.728 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.98 -40.93 95.34 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.41 -1.431 . . . . 6.0 110.234 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -65.1 -45.53 84.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.966 1.307 . . . . 6.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -57.94 -46.01 85.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.986 2.114 . . . . 6.0 111.708 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -68.25 -48.63 64.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.352 1.461 . . . . 6.0 111.916 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -62.66 -32.59 73.68 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.766 0.827 . . . . 6.0 112.557 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.29 44.12 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.372 0.879 . . . . 6.0 113.372 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -132.42 33.72 3.8 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.169 1.788 . . . . 6.0 110.537 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 71.64 -76.37 0.67 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.988 2.232 . . . . 6.0 114.985 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -154.63 28.77 0.43 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.856 1.262 . . . . 6.0 112.238 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.11 137.99 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 120.834 -1.166 . . . . 6.0 113.988 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.94 29.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.633 1.573 . . . . 6.0 113.033 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.68 63.52 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.75 1.759 . . . . 6.0 115.75 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.5 t -83.58 -177.89 6.86 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.034 1.124 . . . . 6.0 114.034 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 90.8 p -154.14 -4.0 0.17 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.559 2.059 . . . . 6.0 116.559 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -61.18 124.98 82.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 120.705 1.593 . . . . 6.0 110.934 179.228 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.8 Cg_exo -46.22 -26.33 3.74 Favored 'Trans proline' 0 C--N 1.354 0.86 1 C-N-CA 125.785 4.323 . . . . 6.0 118.218 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.77 18.82 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.279 1.432 . . . . 6.0 113.552 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.04 -51.96 60.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.759 0.79 . . . . 6.0 110.097 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.11 78.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.688 1.595 . . . . 6.0 113.481 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 33.0 m -62.98 -49.81 73.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.167 0.987 . . . . 6.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.2 mmt -65.37 -45.68 83.15 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.079 0.952 . . . . 6.0 111.461 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -55.11 -41.96 72.31 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.965 1.257 . . . . 6.0 111.94 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -63.34 -46.14 88.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.12 0.568 . . . . 6.0 111.604 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.58 -41.33 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.56 1.144 . . . . 6.0 111.85 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.21 -48.79 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.51 1.924 . . . . 6.0 112.334 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -58.86 -39.91 82.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.818 -0.551 . . . . 6.0 110.669 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -62.5 -53.37 55.73 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.987 0.915 . . . . 6.0 110.635 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 57.9 mtp -52.17 -35.83 49.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.398 1.879 . . . . 6.0 113.632 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 27.6 m -64.23 -13.59 50.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.883 1.273 . . . . 6.0 113.051 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -129.99 -18.77 3.32 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.821 1.248 . . . . 6.0 114.231 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.49 134.77 57.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.771 1.228 . . . . 6.0 112.983 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -123.47 -0.67 8.68 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.549 1.54 . . . . 6.0 113.38 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.13 -20.23 49.12 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.828 0.851 . . . . 6.0 113.131 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 40.47 -114.67 0.55 Allowed Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.518 2.009 . . . . 6.0 114.702 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -55.31 -12.49 1.04 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.254 1.946 . . . . 6.0 116.254 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -120.17 9.56 11.14 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.873 1.669 . . . . 6.0 113.614 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.54 148.57 41.69 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.63 1.172 . . . . 6.0 113.085 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -80.21 -16.13 55.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.085 1.354 . . . . 6.0 113.544 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.13 110.2 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.088 0.955 . . . . 6.0 109.148 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.95 62.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -81.42 -26.16 35.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.556 1.317 . . . . 6.0 114.556 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.43 -68.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.929 1.695 . . . . 6.0 113.91 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.83 75.81 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.57 -0.706 . . . . 6.0 112.193 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.518 ' HA ' HD22 ' B' ' 798' ' ' LEU . 48.0 t -62.12 -52.72 62.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.694 0.797 . . . . 6.0 110.454 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 72.8 m -58.47 -45.35 88.79 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.708 1.603 . . . . 6.0 112.317 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -56.21 -43.14 78.24 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.488 -0.757 . . . . 6.0 111.83 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -72.65 -41.95 64.9 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.81 0.67 . . . . 6.0 112.81 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.07 -41.64 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.075 -1.016 . . . . 6.0 113.221 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.96 -47.21 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.714 1.206 . . . . 6.0 110.345 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.5 m -56.48 -25.76 52.13 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.037 1.495 . . . . 6.0 115.037 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -69.25 -61.21 1.88 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.647 1.112 . . . . 6.0 110.441 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -57.43 -32.31 66.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.939 1.295 . . . . 6.0 112.566 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -57.63 -22.38 45.16 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.566 1.321 . . . . 6.0 114.566 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -129.3 -28.36 2.34 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -172.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.405 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 14.0 t -66.43 139.2 57.97 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.727 1.149 . . . . 6.0 113.213 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.2 p -133.22 -5.2 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.94 1.696 . . . . 6.0 113.525 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.18 116.79 4.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.587 1.555 . . . . 6.0 110.923 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -66.02 -8.23 21.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.724 1.75 . . . . 6.0 115.724 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -127.12 15.0 7.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.952 1.301 . . . . 6.0 113.558 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.09 127.13 69.1 Favored Pre-proline 0 CA--C 1.55 0.946 0 N-CA-C 107.109 -1.441 . . . . 6.0 107.109 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.92 -43.1 32.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.233 1.955 . . . . 6.0 111.683 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.31 -51.67 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-O 117.888 -1.053 . . . . 6.0 111.217 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.501 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 73.6 m -69.97 -29.04 66.06 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.639 1.718 . . . . 6.0 115.639 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 65.2 tp -41.77 -54.26 7.02 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 121.133 1.788 . . . . 6.0 115.275 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.23 -34.35 98.49 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 CA-C-N 122.088 1.782 . . . . 6.0 113.261 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.31 -43.38 56.98 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.939 1.245 . . . . 6.0 111.4 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.501 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.7 mttt -60.43 -31.59 70.55 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.3 1.44 . . . . 6.0 109.905 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -77.68 -45.12 25.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.604 1.561 . . . . 6.0 110.632 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -56.16 -24.17 39.54 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.922 1.689 . . . . 6.0 113.343 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 75.9 p -113.38 10.49 18.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.615 1.966 . . . . 6.0 113.982 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.16 155.0 34.98 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.81 1.244 . . . . 6.0 112.114 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.26 -21.39 62.11 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.802 1.408 . . . . 6.0 114.802 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 . . . . . 0 N--CA 1.482 1.132 0 C-N-CA 125.39 1.476 . . . . 6.0 112.59 -179.254 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 N-CA-C 114.695 0.638 . . . . 6.0 114.695 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 64.5 p -68.49 -23.34 64.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.184 1.394 . . . . 6.0 114.135 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -147.94 -32.94 0.26 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.912 1.685 . . . . 6.0 111.889 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 58.7 ttm -151.82 147.5 26.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.24 1.816 . . . . 6.0 109.136 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 28.5 m -62.49 146.09 94.03 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 123.522 0.729 . . . . 6.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -73.0 153.57 52.49 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.863 2.375 . . . . 6.0 112.122 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.48 114.77 18.75 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.471 1.508 . . . . 6.0 111.439 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -58.53 163.05 11.26 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 C-N-CA 123.152 2.568 . . . . 6.0 113.522 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.77 103.86 0.38 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.533 1.933 . . . . 6.0 113.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.37 124.43 39.85 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.116 1.766 . . . . 6.0 109.796 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -55.05 122.5 11.81 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.612 2.208 . . . . 6.0 112.814 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -54.52 -34.3 61.47 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.461 1.282 . . . . 6.0 114.461 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.24 -25.99 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.555 -0.715 . . . . 6.0 112.749 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.99 -23.17 21.58 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.24 1.016 . . . . 6.0 112.14 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -58.38 -34.38 70.65 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.064 1.302 . . . . 6.0 111.159 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.84 -23.29 67.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.429 1.491 . . . . 6.0 113.734 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.3 mt -70.67 121.97 18.92 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.47 0.708 . . . . 6.0 110.523 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -68.65 117.95 11.03 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.899 -1.148 . . . . 6.0 107.899 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.11 -5.11 58.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.588 1.555 . . . . 6.0 114.916 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.16 -44.68 99.82 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 120.082 1.31 . . . . 6.0 113.159 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.61 -36.6 74.84 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.267 1.978 . . . . 6.0 111.894 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -17.35 64.32 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.779 1.029 . . . . 6.0 113.779 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.78 -24.69 9.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.33 1.423 . . . . 6.0 114.09 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.13 -27.45 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 118.793 0.724 . . . . 6.0 112.36 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.5 -10.17 54.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.466 1.907 . . . . 6.0 114.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 807' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 352' ' ' LEU . 35.1 tpt85 -47.71 -24.71 1.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.249 2.315 . . . . 6.0 117.249 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -141.5 34.58 1.65 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.641 1.177 . . . . 6.0 111.553 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.2 m -131.2 20.77 4.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 156.98 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.845 0.858 . . . . 6.0 112.755 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -124.34 83.11 2.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.393 2.277 . . . . 6.0 109.53 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.419 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.19 -38.26 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.209 1.403 . . . . 6.0 112.662 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.4 mt-10 -89.53 -19.94 24.41 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.245 1.942 . . . . 6.0 116.245 -177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -102.8 -17.12 15.71 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.653 1.353 . . . . 6.0 114.653 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -43.06 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.085 0.954 . . . . 6.0 111.163 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 14.8 tpp -59.94 138.55 90.73 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.529 1.531 . . . . 6.0 113.814 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.97 16.29 0.55 Allowed 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 124.124 3.216 . . . . 6.0 114.28 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.264 0.8 OUTLIER 47.68 30.79 1.89 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 127.918 2.487 . . . . 6.0 116.401 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -79.27 -80.22 0.78 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.065 0.841 . . . . 6.0 113.549 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -159.04 151.58 17.87 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 125.852 1.661 . . . . 6.0 111.227 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.41 -45.56 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.186 1.924 . . . . 6.0 112.732 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.99 -24.16 66.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -63.07 -14.96 54.65 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.646 2.778 . . . . 6.0 111.598 175.331 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -55.34 -21.08 13.67 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.275 1.583 . . . . 6.0 115.275 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.05 -30.29 37.73 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-N 119.439 1.018 . . . . 6.0 114.87 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -133.02 -21.63 2.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.56 -21.95 61.81 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.815 1.413 . . . . 6.0 114.815 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 23.3 p -78.37 -54.4 6.23 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.328 1.973 . . . . 6.0 116.328 -172.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -171.45 173.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.453 2.301 . . . . 6.0 109.25 -175.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -134.45 166.88 21.84 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -52.7 -35.53 55.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.362 1.616 . . . . 6.0 115.362 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.88 -31.81 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.617 0.767 . . . . 6.0 111.245 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -22.31 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.072 2.149 . . . . 6.0 113.524 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.62 5.42 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.043 1.337 . . . . 6.0 113.201 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 2.4 t 52.92 53.36 12.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.8 1.64 . . . . 6.0 113.791 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -46.67 117.9 4.66 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.775 1.63 . . . . 6.0 112.021 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.55 -25.62 7.91 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.162 2.574 . . . . 6.0 115.23 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.459 1.104 . . . . 6.0 112.884 -178.734 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 113.675 0.991 . . . . 6.0 113.675 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.2 p -72.95 -17.75 61.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.467 1.507 . . . . 6.0 114.209 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -167.53 57.67 0.22 Allowed Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.402 -1.221 . . . . 6.0 115.157 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.66 -15.67 32.64 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.756 2.971 . . . . 6.0 115.45 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 81.5 p -124.26 13.66 8.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.994 1.718 . . . . 6.0 112.577 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -72.73 145.75 46.91 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.667 1.187 . . . . 6.0 114.079 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -161.46 97.96 1.27 Allowed Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.494 1.918 . . . . 6.0 107.822 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.55 -43.74 43.6 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.162 3.241 . . . . 6.0 115.68 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -71.02 -48.88 50.47 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.421 -0.799 . . . . 6.0 112.001 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.74 97.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.872 -0.517 . . . . 6.0 110.843 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -54.81 -46.4 74.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.407 1.483 . . . . 6.0 110.989 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.25 -34.78 79.18 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.502 -0.761 . . . . 6.0 112.122 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.14 -48.44 80.11 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.697 1.135 . . . . 6.0 113.426 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.71 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.494 1.497 . . . . 6.0 110.806 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -56.95 -47.18 81.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.697 1.135 . . . . 6.0 112.078 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.26 -46.48 80.33 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.007 0.923 . . . . 6.0 111.988 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.16 -44.9 94.19 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.406 1.457 . . . . 6.0 110.595 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.07 -56.91 12.59 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 6.0 110.706 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.418 HG21 HG23 ' B' ' 812' ' ' ILE . 22.9 t -60.52 -38.57 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.64 -38.12 80.51 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.227 0.921 . . . . 6.0 111.293 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.61 -44.73 81.27 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.881 0.764 . . . . 6.0 110.515 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.68 -43.47 76.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.956 0.502 . . . . 6.0 110.72 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -64.1 -58.36 6.88 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.866 0.466 . . . . 6.0 110.937 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.09 -33.64 62.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.904 1.075 . . . . 6.0 113.904 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -57.63 -58.77 6.87 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.117 0.872 . . . . 6.0 109.804 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.9 -41.21 95.62 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.991 1.316 . . . . 6.0 112.084 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.2 t -62.45 -42.34 99.39 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.262 1.025 . . . . 6.0 111.639 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.26 -19.71 65.57 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.022 1.329 . . . . 6.0 111.934 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -87.92 -9.98 51.96 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.517 1.527 . . . . 6.0 114.164 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -51.24 -43.17 61.44 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.252 1.842 . . . . 6.0 112.534 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -77.46 -14.92 59.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.076 1.139 . . . . 6.0 114.076 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -89.54 -39.08 13.53 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.457 1.503 . . . . 6.0 110.86 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -89.99 -17.22 28.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -138.41 -63.6 0.55 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.432 1.271 . . . . 6.0 114.432 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 165.32 178.05 38.18 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.828 0.728 . . . . 6.0 113.42 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.78 65.71 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 127.69 2.396 . . . . 6.0 117.348 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.72 137.4 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.189 1.796 . . . . 6.0 110.695 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.6 45.79 1.6 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.293 1.837 . . . . 6.0 111.617 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.16 12.18 0.09 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 127.852 2.461 . . . . 6.0 116.674 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 15.0 t -62.03 168.65 3.11 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.966 1.707 . . . . 6.0 114.929 -177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.4 m -143.09 3.8 1.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.911 2.085 . . . . 6.0 115.288 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.695 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -59.62 124.49 76.13 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 121.118 1.781 . . . . 6.0 109.76 178.447 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.695 ' HD2' HD13 ' A' ' 381' ' ' LEU . 32.8 Cg_exo -43.24 -32.03 2.98 Favored 'Trans proline' 0 C--N 1.353 0.789 1 C-N-CA 125.721 4.28 . . . . 6.0 118.862 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -129.97 23.54 5.31 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.815 1.246 . . . . 6.0 112.944 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.19 -47.09 75.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.78 0.832 . . . . 6.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -36.08 79.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.49 1.116 . . . . 6.0 112.918 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 23.1 m -62.45 -49.52 75.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.847 1.259 . . . . 6.0 109.323 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.72 -47.37 75.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.048 0.939 . . . . 6.0 111.777 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -54.34 -43.55 71.34 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.69 1.132 . . . . 6.0 111.669 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -62.11 -46.76 87.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.121 0.568 . . . . 6.0 111.512 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.31 -36.61 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.449 1.1 . . . . 6.0 111.974 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.22 -48.3 57.65 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.874 1.67 . . . . 6.0 112.282 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.97 -40.64 94.16 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.934 -0.479 . . . . 6.0 110.322 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -60.85 -52.18 66.16 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.137 0.975 . . . . 6.0 110.903 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -34.65 46.73 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.078 1.751 . . . . 6.0 113.48 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 24.5 m -65.8 -8.75 23.29 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.388 1.075 . . . . 6.0 113.481 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -129.36 -25.11 2.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.228 1.411 . . . . 6.0 112.94 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 50.2 t -62.09 141.74 57.96 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.036 1.334 . . . . 6.0 112.146 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -130.75 8.75 4.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.2 1.8 . . . . 6.0 113.246 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 3.91 13.36 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.574 1.694 . . . . 6.0 115.574 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.37 -139.63 41.35 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 120.965 -1.084 . . . . 6.0 113.848 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -78.1 17.69 0.58 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.928 1.291 . . . . 6.0 113.698 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -130.89 14.71 5.28 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.046 1.499 . . . . 6.0 115.046 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.15 151.96 17.92 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.519 1.128 . . . . 6.0 113.777 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -69.79 -27.16 64.67 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.394 1.478 . . . . 6.0 111.678 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.5 109.77 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.23 -1.026 . . . . 6.0 108.23 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.11 21.39 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.384 1.624 . . . . 6.0 115.384 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -88.66 -19.96 25.52 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.455 1.279 . . . . 6.0 114.455 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 14.8 t -67.03 -64.4 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.04 1.291 . . . . 6.0 110.87 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.305 0.854 . . . . 6.0 113.305 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 10.5 p -70.23 -52.1 25.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 119.139 -0.458 . . . . 6.0 111.013 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -51.87 -49.03 63.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.134 0.974 . . . . 6.0 112.141 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -47.51 -41.4 20.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.694 1.998 . . . . 6.0 112.524 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -84.01 -42.36 16.28 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.155 1.382 . . . . 6.0 112.93 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 414' ' ' ILE . 1.8 tt -58.92 -43.95 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.641 1.176 . . . . 6.0 112.91 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.6 mt -58.11 -44.92 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.962 1.705 . . . . 6.0 109.747 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.0 m -57.9 -24.84 59.53 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.749 1.389 . . . . 6.0 114.749 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -72.34 -55.12 7.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.253 1.388 . . . . 6.0 110.652 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -59.19 -31.26 68.85 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.986 1.314 . . . . 6.0 112.689 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.42 -14.09 61.67 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.193 1.397 . . . . 6.0 114.409 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -131.35 -31.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.9 t -68.77 138.88 55.19 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.557 1.071 . . . . 6.0 113.479 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 65.6 p -132.14 -3.12 3.53 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.68 1.992 . . . . 6.0 112.819 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -60.94 106.45 0.58 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.894 2.477 . . . . 6.0 110.869 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -64.9 -1.83 2.25 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.664 1.727 . . . . 6.0 115.664 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.25 17.38 4.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.305 1.442 . . . . 6.0 112.756 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 26.3 t -58.28 125.85 76.48 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.551 1.54 . . . . 6.0 109.986 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -40.62 56.66 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.295 2.664 . . . . 6.0 113.223 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 52.5 t -88.75 -49.17 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 117.07 -1.443 . . . . 6.0 112.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.568 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 37.0 m -71.42 -25.75 62.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 121.854 2.115 . . . . 6.0 115.631 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -39.26 -55.26 3.19 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 121.042 1.746 . . . . 6.0 114.885 -175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.98 -36.14 90.86 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.338 2.025 . . . . 6.0 113.451 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.76 -40.75 72.48 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.424 1.465 . . . . 6.0 111.198 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.568 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 40.1 mttt -64.61 -30.99 72.02 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.109 1.364 . . . . 6.0 109.531 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -73.37 -46.7 47.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.776 0.83 . . . . 6.0 109.846 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.93 -15.74 2.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.035 1.734 . . . . 6.0 114.228 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 80.7 p -132.53 -1.41 3.49 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.366 1.987 . . . . 6.0 116.366 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -153.58 33.78 0.45 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.05 1.13 . . . . 6.0 114.05 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -64.66 -9.24 18.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.258 -1.526 . . . . 6.0 114.672 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 128.808 2.843 . . . . 6.0 113.156 179.801 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.373 0 N-CA-C 114.508 0.563 . . . . 6.0 114.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 35.8 t -142.27 153.05 43.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.871 1.668 . . . . 6.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -58.59 -18.49 30.46 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.695 1.739 . . . . 6.0 115.695 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 11.7 tpt -69.42 -9.34 53.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.266 1.21 . . . . 6.0 114.266 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.83 157.67 64.07 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.231 2.212 . . . . 6.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.42 143.07 81.3 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 121.72 1.614 . . . . 6.0 109.884 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -52.34 109.84 1.62 Allowed Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.991 1.316 . . . . 6.0 112.954 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.52 162.03 25.78 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.786 2.324 . . . . 6.0 113.495 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.11 97.18 0.36 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.942 1.697 . . . . 6.0 114.292 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.3 tt -44.72 126.13 5.06 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 127.431 2.292 . . . . 6.0 111.5 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -52.46 125.95 19.26 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.409 2.739 . . . . 6.0 113.986 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -54.9 -33.8 62.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.787 1.235 . . . . 6.0 114.108 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.66 -28.24 67.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.131 -0.981 . . . . 6.0 112.001 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.11 -24.0 21.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.691 1.197 . . . . 6.0 112.832 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -52.76 -41.73 64.33 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 120.032 1.287 . . . . 6.0 111.77 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -69.38 -13.85 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.881 1.672 . . . . 6.0 114.556 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 31.6 mt -70.24 130.62 42.5 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.547 1.067 . . . . 6.0 111.128 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -71.14 105.75 3.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.694 0.798 . . . . 6.0 110.157 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.74 -9.02 53.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.051 1.34 . . . . 6.0 114.359 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.81 -46.2 99.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.249 1.386 . . . . 6.0 113.845 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.63 -23.63 26.64 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 121.844 1.696 . . . . 6.0 111.356 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.5 mtt -68.41 -16.79 64.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.356 1.062 . . . . 6.0 113.155 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.05 -24.45 6.74 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.339 1.237 . . . . 6.0 114.339 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.8 pt -63.56 -30.15 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 119.172 0.897 . . . . 6.0 112.174 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -83.7 -12.68 55.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.776 1.631 . . . . 6.0 114.519 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -48.17 -28.23 2.85 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.063 1.875 . . . . 6.0 116.063 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -134.07 35.21 3.29 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.553 1.069 . . . . 6.0 112.112 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -135.13 19.77 3.43 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.33 1.974 . . . . 6.0 116.33 -172.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.66 156.03 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.22 0.918 . . . . 6.0 112.686 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -123.85 86.43 2.57 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.54 2.336 . . . . 6.0 108.863 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -48.7 -36.59 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.89 1.276 . . . . 6.0 112.908 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.9 mt-10 -92.62 -20.01 21.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.315 1.968 . . . . 6.0 116.315 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -99.53 -18.0 17.61 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.758 1.392 . . . . 6.0 114.758 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -42.68 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.633 1.173 . . . . 6.0 111.869 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 816' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' B' ' 817' ' ' PRO . 24.9 tpp -61.11 140.31 94.2 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 126.159 1.784 . . . . 6.0 114.771 -172.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 817' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 816' ' ' MET . 37.9 Cg_exo -61.03 -7.54 8.11 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.858 3.039 . . . . 6.0 115.618 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 63.5 t30 54.87 37.33 28.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.954 2.102 . . . . 6.0 114.293 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -92.65 -61.54 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.142 0.877 . . . . 6.0 112.775 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -166.27 155.29 10.2 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.389 1.876 . . . . 6.0 111.714 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.64 -36.62 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.157 1.904 . . . . 6.0 111.505 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.1 -11.48 40.32 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.271 1.828 . . . . 6.0 113.117 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -11.42 18.32 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 129.187 2.995 . . . . 6.0 112.548 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -42.16 -34.17 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.209 2.203 . . . . 6.0 114.583 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -58.84 -24.99 58.49 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.281 1.42 . . . . 6.0 115.25 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -125.87 -21.92 4.28 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.601 1.56 . . . . 6.0 113.122 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.04 -28.78 69.83 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.494 1.518 . . . . 6.0 113.422 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 15.0 t -153.93 171.7 18.59 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.554 0.946 . . . . 6.0 113.554 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 829' ' ' VAL . . . . . 0.624 HG13 ' HB3' ' B' ' 833' ' ' TYR . 81.7 t -14.07 114.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.018 1 C-N-CA 131.992 4.117 . . . . 6.0 113.689 174.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.93 -148.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 113.915 1.08 . . . . 6.0 113.915 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.6 -21.64 7.05 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 120.067 -1.646 . . . . 6.0 115.22 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 19.3 m -92.13 7.09 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.003 1.321 . . . . 6.0 113.235 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 833' ' ' TYR . . . . . 0.624 ' HB3' HG13 ' B' ' 829' ' ' VAL . 7.7 m-85 -124.62 -27.11 3.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.303 1.841 . . . . 6.0 115.592 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 9.7 m -69.28 77.93 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.752 1.221 . . . . 6.0 112.611 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 52.0 p 55.36 3.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 129.373 3.069 . . . . 6.0 117.399 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -147.03 155.42 47.27 Favored Pre-proline 0 N--CA 1.469 0.504 0 C-N-CA 127.601 2.361 . . . . 6.0 110.647 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -75.34 -1.95 11.95 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 123.672 2.915 . . . . 6.0 113.257 175.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 127.564 2.346 . . . . 6.0 113.961 -178.849 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.884 1.068 . . . . 6.0 113.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 73.7 p -68.14 -28.81 67.64 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.009 1.115 . . . . 6.0 114.009 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 165.51 -177.03 40.96 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.515 1.531 . . . . 6.0 112.558 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.8 -23.2 62.92 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.14 2.56 . . . . 6.0 113.078 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.6 p -69.51 -13.23 62.23 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.707 1.603 . . . . 6.0 113.782 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -67.25 -33.14 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.087 1.143 . . . . 6.0 114.087 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 27.2 t0 20.31 81.91 0.12 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 129.276 3.03 . . . . 6.0 114.88 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.15 -43.05 26.16 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.882 3.722 . . . . 6.0 114.919 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.54 -48.01 65.41 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.708 0.803 . . . . 6.0 111.804 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.36 -46.38 88.92 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.753 -0.592 . . . . 6.0 110.653 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -50.65 -45.67 58.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.483 1.513 . . . . 6.0 110.515 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -61.67 -44.95 95.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.106 0.963 . . . . 6.0 111.746 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.27 -51.43 69.82 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.692 1.367 . . . . 6.0 114.692 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -41.06 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 120.248 1.386 . . . . 6.0 110.999 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.22 -45.9 79.72 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.553 1.07 . . . . 6.0 112.124 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.18 -47.29 80.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.11 0.964 . . . . 6.0 112.089 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.17 -43.68 97.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.885 1.221 . . . . 6.0 110.696 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -53.42 56.91 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.541 0.736 . . . . 6.0 110.622 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.65 -39.06 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 113.33 0.863 . . . . 6.0 113.33 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.15 -40.24 89.14 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.294 0.952 . . . . 6.0 110.91 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.0 -45.78 84.17 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.896 0.478 . . . . 6.0 110.115 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.81 -35.16 70.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 6.0 112.541 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -69.8 -58.45 3.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.788 0.722 . . . . 6.0 109.887 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.97 64.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.281 . . . . 6.0 113.974 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -53.38 6.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.641 1.976 . . . . 6.0 112.388 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.14 -29.75 18.09 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.517 1.127 . . . . 6.0 112.291 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.13 -37.19 79.31 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.263 1.03 . . . . 6.0 111.285 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -59.28 -29.12 67.35 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.696 1.598 . . . . 6.0 112.042 173.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -89.99 -40.02 12.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 6.0 112.338 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -62.23 -35.03 77.66 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 119.456 1.025 . . . . 6.0 111.371 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.89 -42.1 86.09 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.135 0.974 . . . . 6.0 111.433 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.3 -32.51 73.26 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.113 -0.992 . . . . 6.0 111.583 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.68 -9.97 57.74 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.036 1.335 . . . . 6.0 113.771 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -138.35 81.24 1.84 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.911 1.684 . . . . 6.0 110.381 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -49.83 -22.72 4.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 125.154 1.359 . . . . 6.0 116.334 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -77.38 4.23 11.36 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 116.281 1.956 . . . . 6.0 116.281 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -142.73 142.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.88 1.272 . . . . 6.0 112.868 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 10.6 2.28 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.15 1.38 . . . . 6.0 113.806 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -164.07 160.83 22.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.593 1.557 . . . . 6.0 112.236 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 17.1 p -143.08 -173.09 3.82 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.858 1.663 . . . . 6.0 112.173 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.8 m -63.11 -17.56 62.44 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 116.971 2.212 . . . . 6.0 116.971 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.665 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -68.57 122.0 83.01 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 120.677 1.58 . . . . 6.0 111.929 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.665 ' HD2' HD13 ' A' ' 381' ' ' LEU . 71.1 Cg_exo -47.02 -27.65 6.28 Favored 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 125.591 4.194 . . . . 6.0 118.392 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.3 22.23 5.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.232 1.413 . . . . 6.0 113.978 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.76 -50.74 69.59 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.288 -0.882 . . . . 6.0 112.319 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -27.14 66.66 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.676 -1.265 . . . . 6.0 113.4 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -63.3 -50.18 71.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.608 1.563 . . . . 6.0 108.535 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.29 -44.44 83.51 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.376 1.071 . . . . 6.0 112.253 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.51 -43.72 84.45 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 119.277 0.944 . . . . 6.0 111.929 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -65.42 -41.32 93.69 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.526 0.73 . . . . 6.0 111.56 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 13.4 t -64.43 -45.65 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.112 0.965 . . . . 6.0 110.69 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.63 -47.39 78.72 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 6.0 111.883 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.56 -42.8 83.75 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.929 -0.482 . . . . 6.0 110.988 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -60.74 -53.48 56.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.648 0.779 . . . . 6.0 110.531 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.1 mtp -52.66 -38.9 61.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.741 1.616 . . . . 6.0 112.954 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 11.1 m -61.65 -14.22 29.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.018 1.327 . . . . 6.0 113.54 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -128.72 -14.86 4.51 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.124 1.157 . . . . 6.0 114.124 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.1 t -66.01 129.0 38.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.785 1.634 . . . . 6.0 113.31 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -108.45 -8.74 15.51 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.716 1.206 . . . . 6.0 113.663 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.57 54.7 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.547 0.943 . . . . 6.0 113.547 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 36.34 -105.61 0.03 OUTLIER Glycine 0 CA--C 1.535 1.298 0 C-N-CA 126.964 2.221 . . . . 6.0 115.508 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -55.51 -13.08 1.34 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.898 1.814 . . . . 6.0 115.898 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -124.29 9.5 8.56 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.516 1.926 . . . . 6.0 113.524 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 49.1 t -61.03 148.17 41.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.906 1.283 . . . . 6.0 113.678 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -80.37 -22.53 41.27 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.562 1.545 . . . . 6.0 112.602 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.3 108.49 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.26 0.936 . . . . 6.0 109.248 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.2 61.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.976 1.472 . . . . 6.0 114.976 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.22 -20.55 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.27 1.211 . . . . 6.0 114.27 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.07 -65.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.177 1.353 . . . . 6.0 112.576 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.82 79.07 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.264 0.838 . . . . 6.0 113.264 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.443 ' HA ' HD22 ' B' ' 798' ' ' LEU . 20.7 p -65.6 -51.89 56.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.051 0.387 . . . . 6.0 110.643 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.0 m -52.67 -47.53 67.09 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.689 1.196 . . . . 6.0 112.361 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -55.3 -28.37 53.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.978 1.311 . . . . 6.0 113.321 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -90.17 -44.74 9.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.58 1.152 . . . . 6.0 112.044 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.47 -43.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.414 1.486 . . . . 6.0 114.095 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' B' ' 829' ' ' VAL . 33.0 mt -61.53 -48.07 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.406 1.482 . . . . 6.0 109.969 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.1 m -56.75 -24.31 49.05 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.317 1.599 . . . . 6.0 115.317 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -67.47 -56.43 9.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.28 1.4 . . . . 6.0 109.71 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -58.25 -37.39 74.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.711 1.204 . . . . 6.0 112.774 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -61.01 -15.66 34.46 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.619 1.34 . . . . 6.0 114.619 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -128.78 -27.75 2.53 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.026 1.862 . . . . 6.0 116.026 -174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.3 t -66.1 142.38 57.79 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.835 1.198 . . . . 6.0 113.216 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.7 p -130.42 -7.13 4.21 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.335 1.854 . . . . 6.0 113.203 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -63.23 104.76 0.63 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.119 2.568 . . . . 6.0 111.091 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -63.92 -1.56 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.86 1.8 . . . . 6.0 115.86 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -132.87 20.14 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.624 1.57 . . . . 6.0 112.246 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.8 t -55.9 128.17 69.98 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.757 1.623 . . . . 6.0 111.428 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.93 -27.76 36.71 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.932 2.421 . . . . 6.0 114.929 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.33 -47.46 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 116.862 -1.542 . . . . 6.0 111.082 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.516 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 21.9 m -69.67 -24.05 63.55 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.596 1.998 . . . . 6.0 114.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.5 tp -40.4 -55.76 4.01 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-N 121.909 2.141 . . . . 6.0 114.728 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.84 -41.37 76.19 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 121.996 1.797 . . . . 6.0 113.057 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.96 -39.73 87.31 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.264 1.393 . . . . 6.0 112.059 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.516 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.2 mttt -63.81 -40.57 96.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.701 1.2 . . . . 6.0 109.04 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.59 -44.99 80.7 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.203 1.001 . . . . 6.0 111.119 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.31 -19.41 3.27 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.456 2.302 . . . . 6.0 114.296 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' B' ' 818' ' ' ASN 0.282 0.3 OUTLIER -127.38 14.69 7.16 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 178.833 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -123.45 -16.2 6.89 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.241 1.416 . . . . 6.0 112.405 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -53.21 -34.95 59.21 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.612 1.565 . . . . 6.0 113.749 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 C-N-CA 126.398 1.879 . . . . 6.0 112.744 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 N-CA-C 114.874 0.709 . . . . 6.0 114.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 82.2 p -154.22 178.85 9.54 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.729 1.612 . . . . 6.0 112.3 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -127.63 25.01 6.09 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.738 1.615 . . . . 6.0 111.579 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -129.2 76.54 1.73 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.139 1.776 . . . . 6.0 110.537 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.3 144.22 52.37 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.345 1.058 . . . . 6.0 112.729 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.97 146.12 46.52 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.648 2.232 . . . . 6.0 113.127 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -152.23 98.88 2.89 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.319 1.848 . . . . 6.0 108.055 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.33 157.79 20.76 Favored 'Trans proline' 0 CA--C 1.548 1.211 0 C-N-CA 123.491 2.794 . . . . 6.0 112.835 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -70.22 101.96 2.0 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.938 1.295 . . . . 6.0 114.005 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -34.92 127.16 0.52 Allowed Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 129.343 3.057 . . . . 6.0 112.9 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.2 129.43 33.4 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.065 2.51 . . . . 6.0 114.267 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -47.94 -42.83 28.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.304 1.841 . . . . 6.0 114.903 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.79 -27.71 66.98 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.799 0.839 . . . . 6.0 113.037 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.04 -26.16 20.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.424 1.09 . . . . 6.0 112.804 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.94 -36.34 65.18 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.905 1.229 . . . . 6.0 111.905 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.79 -11.46 60.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.467 1.507 . . . . 6.0 114.724 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.6 mt -70.42 135.66 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.806 1.184 . . . . 6.0 110.898 177.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -73.3 108.41 6.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.643 -0.503 . . . . 6.0 109.643 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.6 p -90.71 -9.14 47.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.954 1.301 . . . . 6.0 114.406 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.67 -45.62 99.63 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.399 1.454 . . . . 6.0 112.995 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -61.95 -34.17 81.85 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.545 2.164 . . . . 6.0 112.214 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.7 -16.81 63.43 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.398 1.079 . . . . 6.0 113.664 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.84 -22.92 16.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.308 1.225 . . . . 6.0 114.308 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.46 -28.46 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.329 0.968 . . . . 6.0 111.71 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.75 -11.93 49.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.106 1.763 . . . . 6.0 114.221 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -48.11 -27.32 2.27 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.797 2.147 . . . . 6.0 116.797 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.03 31.18 3.28 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.606 1.562 . . . . 6.0 112.425 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.2 m -128.86 17.3 6.25 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.887 1.81 . . . . 6.0 115.887 -173.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.77 149.91 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.074 0.852 . . . . 6.0 112.536 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -119.14 86.51 2.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.956 2.102 . . . . 6.0 106.878 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.3 mt -38.62 -47.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.568 1.947 . . . . 6.0 113.038 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 4.2 mp0 -88.03 -20.08 26.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 116.506 2.039 . . . . 6.0 116.506 -174.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -86.15 -25.77 25.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -42.36 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.589 1.956 . . . . 6.0 113.495 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 51.3 mmm -63.46 153.3 83.13 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 128.071 2.549 . . . . 6.0 116.946 -169.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -59.09 -21.4 58.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.718 3.612 . . . . 6.0 117.195 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.298 63.7 t30 52.26 64.62 1.78 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.919 1.688 . . . . 6.0 114.557 -176.741 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -138.99 -63.42 0.04 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.305 1.431 . . . . 6.0 112.984 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.74 137.14 9.92 Favored Pre-proline 0 N--CA 1.474 0.734 0 C-N-CA 125.74 1.616 . . . . 6.0 110.441 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -90.38 -33.99 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.819 2.346 . . . . 6.0 113.706 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.09 -19.53 63.07 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.958 1.303 . . . . 6.0 112.224 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -64.21 -13.71 50.68 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 130.116 3.366 . . . . 6.0 111.694 174.636 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -53.47 139.89 29.63 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.422 -1.423 . . . . 6.0 110.887 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . 108.01 -34.58 5.53 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.714 1.149 . . . . 6.0 110.658 -173.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -104.46 -12.1 16.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.151 1.78 . . . . 6.0 113.342 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -126.54 25.77 6.43 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.267 1.427 . . . . 6.0 111.865 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 2.0 p -124.46 172.29 9.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.821 2.048 . . . . 6.0 111.771 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 829' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 415' ' ' ILE . 26.0 m -61.76 -5.34 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 117.839 2.533 . . . . 6.0 117.839 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -17.64 -47.23 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 120.348 3.462 . . . . 6.0 120.348 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.1 22.17 4.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.745 1.218 . . . . 6.0 112.781 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.0 11.97 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.841 1.656 . . . . 6.0 114.682 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.62 -9.07 0.64 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.831 1.652 . . . . 6.0 115.38 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 20.4 m -66.14 156.33 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.339 1.056 . . . . 6.0 112.239 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 63.6 p -62.08 -4.47 1.69 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.178 1.918 . . . . 6.0 116.178 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -133.43 70.86 76.6 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 126.82 2.048 . . . . 6.0 110.507 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.12 -16.5 28.57 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.42 3.413 . . . . 6.0 113.917 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.473 0.703 0 C-N-CA 125.855 1.662 . . . . 6.0 112.532 179.71 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 113.966 1.098 . . . . 6.0 113.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 59.0 p -131.72 20.0 4.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.142 1.777 . . . . 6.0 113.338 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -140.04 177.0 20.93 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.396 1.474 . . . . 6.0 113.766 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.24 -24.67 79.37 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.862 3.042 . . . . 6.0 114.207 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.6 p -65.75 -14.08 60.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 6.0 113.622 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.33 21.24 2.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.306 1.843 . . . . 6.0 112.146 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -47.87 110.74 1.47 Allowed Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.428 1.091 . . . . 6.0 112.849 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -54.16 -42.04 70.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.398 2.732 . . . . 6.0 114.599 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -43.3 67.22 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.684 -0.635 . . . . 6.0 111.997 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -62.41 -46.13 90.0 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.844 0.747 . . . . 6.0 109.588 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 34.2 ttp85 -50.08 -47.12 53.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.445 1.498 . . . . 6.0 110.611 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -66.02 -33.65 76.29 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.659 1.184 . . . . 6.0 113.754 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.23 -50.95 62.05 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.541 1.519 . . . . 6.0 112.776 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.49 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.955 1.252 . . . . 6.0 110.923 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.87 -47.27 80.84 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.601 1.092 . . . . 6.0 111.638 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.05 -43.69 74.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 117.949 -1.024 . . . . 6.0 113.587 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.36 -45.16 94.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.39 1.45 . . . . 6.0 110.463 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 53.7 tp -53.63 -51.49 62.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.415 1.086 . . . . 6.0 111.481 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.488 HG21 HG23 ' B' ' 812' ' ' ILE . 28.0 t -65.35 -40.53 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.72 0.637 . . . . 6.0 112.72 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -59.03 -41.01 86.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.546 0.612 . . . . 6.0 111.657 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.79 -47.67 79.97 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.867 0.758 . . . . 6.0 110.843 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.52 -39.39 76.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.578 0.751 . . . . 6.0 111.908 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -64.46 -58.32 6.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.452 0.569 . . . . 6.0 110.12 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.43 65.06 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.694 1.368 . . . . 6.0 114.694 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -54.51 -43.33 71.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.476 1.11 . . . . 6.0 111.94 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -88.9 -34.27 17.01 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.233 1.413 . . . . 6.0 111.584 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -61.59 -37.22 83.1 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.001 0.819 . . . . 6.0 112.155 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -58.48 -36.52 73.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.556 -1.34 . . . . 6.0 111.06 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 41.4 mmt-85 -63.66 -28.18 69.73 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.984 1.313 . . . . 6.0 111.689 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -70.76 -52.27 21.8 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.118 0.967 . . . . 6.0 109.747 174.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.11 -47.49 85.06 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.191 1.397 . . . . 6.0 113.505 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -59.51 -26.87 65.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.707 1.003 . . . . 6.0 113.707 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -89.97 -37.04 14.63 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.444 1.098 . . . . 6.0 112.32 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -70.88 -41.56 71.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.947 1.299 . . . . 6.0 114.156 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 168.93 18.13 0.02 OUTLIER Glycine 0 CA--C 1.537 1.429 0 N-CA-C 117.101 1.601 . . . . 6.0 117.101 -178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.47 39.53 31.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.812 1.645 . . . . 6.0 113.888 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.0 p -141.16 151.98 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.647 1.179 . . . . 6.0 112.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -57.05 115.31 2.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.38 1.072 . . . . 6.0 110.562 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -137.32 43.96 2.3 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.243 1.417 . . . . 6.0 112.617 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 6.0 t -133.62 -174.42 3.51 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.278 1.431 . . . . 6.0 113.016 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 m -134.2 -6.99 2.65 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.824 2.049 . . . . 6.0 114.808 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.741 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.1 OUTLIER -63.21 125.2 86.49 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-N 120.417 1.462 . . . . 6.0 108.18 176.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.741 ' HD2' HD13 ' A' ' 381' ' ' LEU . 13.7 Cg_exo -39.63 -30.55 0.34 Allowed 'Trans proline' 0 CA--C 1.54 0.8 1 C-N-CA 125.831 4.354 . . . . 6.0 119.299 -177.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.16 22.07 4.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.794 1.237 . . . . 6.0 113.189 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.16 -50.34 67.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.892 0.877 . . . . 6.0 110.929 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -36.38 76.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.287 1.035 . . . . 6.0 112.781 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 89.4 m -64.02 -49.38 72.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.404 1.082 . . . . 6.0 109.714 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.6 mmt -64.57 -46.03 84.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.217 0.607 . . . . 6.0 111.399 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.289 1.036 . . . . 6.0 111.517 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -63.74 -45.48 89.67 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.745 0.818 . . . . 6.0 111.337 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.8 -39.1 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.346 1.059 . . . . 6.0 111.61 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.7 -45.65 67.77 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.673 1.589 . . . . 6.0 112.128 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -64.5 -37.18 86.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.193 0.197 . . . . 6.0 110.676 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.81 -49.69 76.47 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.621 -0.674 . . . . 6.0 109.213 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 68.0 mtp -51.72 -39.61 58.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.356 1.463 . . . . 6.0 111.952 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -4.44 6.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.99 -18.33 3.38 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.381 1.473 . . . . 6.0 112.71 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 54.1 t -63.43 145.56 55.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.405 1.482 . . . . 6.0 111.674 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -136.87 5.09 2.82 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.71 2.004 . . . . 6.0 112.521 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -84.57 -6.02 59.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 115.258 1.577 . . . . 6.0 115.258 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.25 -136.21 43.2 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.305 0.955 . . . . 6.0 114.145 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.58 -5.73 6.15 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.566 1.691 . . . . 6.0 115.566 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -111.19 8.7 21.71 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.368 1.467 . . . . 6.0 114.381 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.61 146.39 30.63 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.439 1.096 . . . . 6.0 113.652 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -77.27 -20.57 54.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.131 1.372 . . . . 6.0 113.195 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.2 t -79.16 112.47 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.293 0.951 . . . . 6.0 108.837 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.86 29.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.062 1.875 . . . . 6.0 116.062 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -90.08 -25.01 20.98 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.316 1.228 . . . . 6.0 114.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 40.1 t -59.58 -65.35 0.69 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.482 1.513 . . . . 6.0 113.378 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.17 69.46 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.627 -0.671 . . . . 6.0 112.465 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.45 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.1 m -67.65 -47.63 68.98 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.992 -0.443 . . . . 6.0 111.37 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -57.5 -45.7 84.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.256 1.423 . . . . 6.0 111.541 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -50.65 -43.57 57.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.123 0.969 . . . . 6.0 112.393 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -79.11 -43.61 23.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.767 0.827 . . . . 6.0 111.976 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -56.12 -44.44 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.153 0.981 . . . . 6.0 112.407 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 415' ' ' ILE . 74.8 mt -54.2 -58.28 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.552 1.141 . . . . 6.0 110.103 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -54.18 -27.2 32.41 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.77 -63.36 1.08 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.091 0.86 . . . . 6.0 110.688 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -56.01 -41.01 74.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.236 1.014 . . . . 6.0 112.938 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' LYS . . . . . 0.413 ' HA ' ' HB1' ' B' ' 824' ' ' ALA . 8.2 mmtt -65.15 -9.88 26.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.504 1.522 . . . . 6.0 114.303 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -130.54 -27.35 2.17 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.848 1.796 . . . . 6.0 115.848 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.87 113.05 2.83 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.06 1.3 . . . . 6.0 112.902 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.9 p -90.75 -9.81 45.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.958 1.303 . . . . 6.0 113.632 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.406 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 65.9 mtm180 -62.74 116.24 5.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 6.0 112.996 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.2 -4.26 20.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.548 0.739 . . . . 6.0 112.805 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.2 14.73 7.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.671 1.588 . . . . 6.0 114.163 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' CYS . . . . . 0.406 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 17.0 t -56.7 130.56 77.75 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.325 1.05 . . . . 6.0 111.961 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -57.5 -19.4 36.28 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.456 2.771 . . . . 6.0 115.343 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.26 -39.22 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.791 1.178 . . . . 6.0 111.372 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 78.6 m -74.71 -28.01 60.62 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.596 1.544 . . . . 6.0 113.985 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.3 tp -41.14 -54.95 5.38 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 121.225 1.83 . . . . 6.0 115.144 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -59.84 -32.62 95.66 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 CA-C-N 121.735 1.656 . . . . 6.0 113.042 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -38.78 61.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.284 1.402 . . . . 6.0 111.589 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -63.29 -31.41 72.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.91 1.284 . . . . 6.0 109.696 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -71.43 -55.75 7.3 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.453 -0.943 . . . . 6.0 108.453 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -48.05 -42.54 28.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.286 1.834 . . . . 6.0 115.045 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.5 OUTLIER -84.41 10.23 11.25 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.383 1.253 . . . . 6.0 114.383 -177.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -143.87 -53.83 0.35 Allowed 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.649 -1.282 . . . . 6.0 113.612 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -148.05 97.87 2.85 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 127.255 2.222 . . . . 6.0 109.524 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 125.057 1.343 . . . . 6.0 112.818 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.487 0 N-CA-C 114.647 0.619 . . . . 6.0 114.647 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 27.7 m -71.5 -6.6 41.75 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.633 1.573 . . . . 6.0 114.761 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -61.28 154.64 23.17 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.189 1.396 . . . . 6.0 113.5 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.76 173.13 11.79 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.056 1.742 . . . . 6.0 111.274 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.27 151.27 74.7 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 125.607 1.563 . . . . 6.0 111.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.92 81.08 2.48 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.763 2.975 . . . . 6.0 112.871 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.01 83.65 62.93 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.825 1.65 . . . . 6.0 111.912 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.78 156.75 41.39 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.026 2.484 . . . . 6.0 111.015 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.53 100.27 2.21 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.04 1.126 . . . . 6.0 114.04 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -33.49 126.72 0.43 Allowed Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 129.862 3.265 . . . . 6.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -56.16 129.88 37.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.825 2.35 . . . . 6.0 114.169 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -50.12 -41.75 49.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.764 1.626 . . . . 6.0 115.25 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -66.87 -24.58 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.27 -0.893 . . . . 6.0 113.003 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.13 -25.15 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.418 1.087 . . . . 6.0 112.603 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.05 -37.53 71.93 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 120.176 1.353 . . . . 6.0 111.519 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.85 -14.9 62.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.609 1.564 . . . . 6.0 114.254 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.0 mt -70.06 137.27 51.1 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.606 1.094 . . . . 6.0 111.22 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -73.26 103.75 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.57 0.748 . . . . 6.0 109.753 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.4 p -86.06 -9.71 56.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.671 1.188 . . . . 6.0 113.698 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.12 -49.32 94.65 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 120.217 1.372 . . . . 6.0 114.107 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.23 -23.68 28.37 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-N 121.57 1.596 . . . . 6.0 111.052 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.98 -16.93 64.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.455 1.102 . . . . 6.0 113.283 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.07 -18.51 5.48 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.064 1.505 . . . . 6.0 115.064 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 17.8 pt -67.91 -32.7 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 119.077 0.853 . . . . 6.0 111.391 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.51 -15.53 56.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.118 1.767 . . . . 6.0 114.394 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -27.86 0.21 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 117.875 2.546 . . . . 6.0 117.875 -172.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 35.25 1.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.294 1.438 . . . . 6.0 112.053 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.0 m -128.37 19.01 6.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.457 1.651 . . . . 6.0 115.457 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.63 155.16 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 6.0 111.852 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -122.95 86.16 2.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.569 1.947 . . . . 6.0 107.827 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.488 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.84 -42.41 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.72 1.608 . . . . 6.0 112.93 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.64 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 66.7 mt-10 -85.16 -19.98 30.95 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.557 1.688 . . . . 6.0 115.557 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.3 -19.69 21.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.518 1.508 . . . . 6.0 114.884 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -42.87 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.16 0.984 . . . . 6.0 111.866 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 816' ' ' MET . . . . . 0.447 ' HB2' ' HB1' ' A' ' 435' ' ' ALA . 3.8 tpp -72.01 135.9 82.52 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.372 1.069 . . . . 6.0 113.812 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.0 20.2 0.65 Allowed 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 124.482 3.454 . . . . 6.0 114.217 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.363 0.8 OUTLIER 45.28 47.04 10.36 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.209 2.204 . . . . 6.0 116.584 -178.872 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -77.6 -83.07 0.56 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.156 0.884 . . . . 6.0 111.653 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -160.02 143.31 10.28 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.417 1.487 . . . . 6.0 111.301 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -79.81 -43.7 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.076 2.517 . . . . 6.0 113.824 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.83 -20.93 66.18 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.335 1.054 . . . . 6.0 112.724 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -15.42 62.57 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 128.299 2.64 . . . . 6.0 111.149 174.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 824' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 419' ' ' LYS . . . -53.4 -27.83 26.38 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.274 -1.516 . . . . 6.0 114.688 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -83.32 -28.96 34.76 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 120.694 1.588 . . . . 6.0 113.601 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.29 -30.76 69.84 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 107.639 -1.245 . . . . 6.0 107.639 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.41 -1.35 49.79 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 126.888 2.075 . . . . 6.0 112.229 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 828' ' ' THR . . . . . 0.435 HG23 ' N ' ' B' ' 830' ' ' ASP . 0.9 OUTLIER 42.28 174.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 1 C-N-CA 133.631 4.772 . . . . 6.0 119.493 178.939 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.88 24.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 126.622 1.969 . . . . 6.0 114.222 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 830' ' ' ASP . . . . . 0.435 ' N ' HG23 ' B' ' 828' ' ' THR . 70.0 m-20 47.41 33.99 3.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.782 2.833 . . . . 6.0 113.516 -173.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -43.37 -33.57 1.06 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.928 2.891 . . . . 6.0 115.994 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.8 -2.68 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 126.638 1.975 . . . . 6.0 113.057 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -124.76 -34.29 2.85 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.872 2.069 . . . . 6.0 115.606 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 20.8 m -66.02 -12.01 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.269 1.428 . . . . 6.0 114.242 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 10.7 t -150.41 172.7 15.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.223 1.809 . . . . 6.0 111.749 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -58.19 118.18 25.38 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.142 1.777 . . . . 6.0 110.797 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.95 151.17 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.943 3.096 . . . . 6.0 114.25 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 124.875 1.27 . . . . 6.0 112.365 179.036 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.886 1.069 . . . . 6.0 113.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.1 m -58.62 -30.7 67.45 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.238 1.815 . . . . 6.0 113.705 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 174.74 -174.4 46.62 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 126.029 1.776 . . . . 6.0 111.432 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -63.66 -16.26 53.65 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.294 2.663 . . . . 6.0 113.687 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 29.5 p -80.78 -6.13 58.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.102 1.761 . . . . 6.0 114.146 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -130.6 143.16 50.57 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.978 1.263 . . . . 6.0 112.011 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -152.03 101.34 2.84 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.642 1.177 . . . . 6.0 110.432 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.93 -29.58 27.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.718 3.612 . . . . 6.0 117.294 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.92 -47.78 8.3 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.514 1.052 . . . . 6.0 112.017 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -38.27 89.44 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.974 -0.454 . . . . 6.0 110.582 176.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.45 -44.99 81.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.425 1.49 . . . . 6.0 112.088 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.0 -39.54 95.09 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.012 0.823 . . . . 6.0 111.803 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.28 -49.06 78.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.004 1.112 . . . . 6.0 114.004 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -40.82 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.033 1.288 . . . . 6.0 110.94 175.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -57.43 -44.89 85.07 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.674 1.125 . . . . 6.0 112.682 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -65.95 -49.15 68.93 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.655 1.182 . . . . 6.0 111.769 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.49 -44.94 95.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.171 1.35 . . . . 6.0 110.512 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.11 -54.38 36.49 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.096 0.959 . . . . 6.0 111.613 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.443 HG21 HG23 ' B' ' 812' ' ' ILE . 25.1 t -64.21 -38.95 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.863 0.69 . . . . 6.0 112.863 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.05 -38.85 80.34 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.878 0.763 . . . . 6.0 111.328 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.5 -46.78 75.09 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.768 0.713 . . . . 6.0 111.28 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.27 -35.6 69.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.101 0.96 . . . . 6.0 111.347 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -71.17 -60.18 2.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.183 0.593 . . . . 6.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.66 -34.51 58.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.18 -58.75 7.28 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.32 1.418 . . . . 6.0 111.308 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -66.09 -32.79 74.46 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.678 -0.639 . . . . 6.0 111.724 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 366' ' ' CYS . . . . . 0.543 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 37.4 t -63.62 -39.97 95.71 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.568 0.747 . . . . 6.0 111.749 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.7 -34.81 76.43 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.695 -1.253 . . . . 6.0 110.031 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -66.82 -43.14 84.55 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.558 0.743 . . . . 6.0 110.633 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 74.9 mtm180 -57.68 -43.74 85.3 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.066 0.947 . . . . 6.0 111.046 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.53 -51.25 66.25 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.146 0.978 . . . . 6.0 111.13 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.89 -29.89 69.84 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.901 0.88 . . . . 6.0 113.291 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -69.4 -9.81 55.17 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.429 1.27 . . . . 6.0 114.429 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -134.12 -49.36 0.8 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.347 1.059 . . . . 6.0 113.43 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 93.67 -15.1 63.83 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.245 1.402 . . . . 6.0 116.407 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.89 -0.66 4.21 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.0 1.9 . . . . 6.0 115.901 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.34 153.22 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.372 1.869 . . . . 6.0 110.588 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' ARG . . . . . 0.577 HH22 ' CB ' ' A' ' 384' ' ' CYS . 0.0 OUTLIER -134.49 -0.03 2.98 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.477 2.029 . . . . 6.0 116.477 -178.477 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . 56.72 43.5 25.17 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 118.949 2.944 . . . . 6.0 118.949 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 379' ' ' CYS . . . . . 0.483 ' HB3' HH22 ' A' ' 369' ' ' ARG . 12.4 p -161.0 175.44 12.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.888 1.275 . . . . 6.0 112.813 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 31.6 m -140.92 27.47 1.99 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.781 1.632 . . . . 6.0 113.731 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.636 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -53.86 125.84 48.63 Favored Pre-proline 0 CA--C 1.56 1.353 0 O-C-N 121.051 -1.031 . . . . 6.0 111.2 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.636 ' HD2' HD13 ' A' ' 381' ' ' LEU . 58.6 Cg_exo -45.94 -30.59 7.24 Favored 'Trans proline' 0 CA--C 1.541 0.854 1 C-N-CA 125.49 4.127 . . . . 6.0 118.608 -178.153 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.45 23.5 5.13 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.98 1.312 . . . . 6.0 112.801 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 384' ' ' CYS . . . . . 0.577 ' CB ' HH22 ' A' ' 377' ' ' ARG . 1.8 t -53.47 -46.32 69.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.126 1.37 . . . . 6.0 110.989 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -34.41 77.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.044 1.337 . . . . 6.0 113.289 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.9 m -62.27 -48.1 81.4 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.821 1.248 . . . . 6.0 108.903 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -65.09 -46.45 81.06 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.709 0.803 . . . . 6.0 111.916 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 56.7 mttp -53.52 -41.53 66.45 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 119.933 1.242 . . . . 6.0 112.384 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -66.0 -46.89 76.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.775 0.83 . . . . 6.0 111.71 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.39 -39.75 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.383 1.073 . . . . 6.0 111.514 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.3 mt -66.77 -49.97 64.21 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.089 1.756 . . . . 6.0 111.952 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -59.53 -42.08 91.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.78 -0.575 . . . . 6.0 110.846 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -59.23 -53.06 62.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.571 0.748 . . . . 6.0 110.432 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -35.72 47.92 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.949 1.7 . . . . 6.0 113.995 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 9.2 m -68.29 -10.56 55.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.135 0.974 . . . . 6.0 113.082 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -126.58 -19.87 4.48 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.355 1.462 . . . . 6.0 113.597 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.26 147.84 49.89 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.31 1.444 . . . . 6.0 112.291 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -137.87 7.1 2.7 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.878 1.671 . . . . 6.0 112.986 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.3 -5.93 55.57 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.326 1.232 . . . . 6.0 114.326 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.56 -136.34 47.15 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.573 1.083 . . . . 6.0 113.964 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.28 -7.75 10.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.174 1.546 . . . . 6.0 115.174 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -107.84 6.18 27.19 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.492 1.517 . . . . 6.0 114.28 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.64 141.47 48.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.876 0.846 . . . . 6.0 112.33 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -78.37 -15.68 58.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.762 1.225 . . . . 6.0 113.23 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.16 110.17 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.825 -1.176 . . . . 6.0 107.825 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.99 17.42 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.745 1.758 . . . . 6.0 115.745 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.02 -14.77 33.23 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.659 1.355 . . . . 6.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.86 -65.36 0.73 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.208 1.367 . . . . 6.0 111.442 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.94 -33.47 62.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.977 0.732 . . . . 6.0 112.977 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.2 p -70.51 -53.76 14.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.108 -0.472 . . . . 6.0 110.995 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 70.4 m -51.96 -46.95 64.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.169 0.988 . . . . 6.0 112.816 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -52.78 -34.57 53.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.637 1.975 . . . . 6.0 113.22 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -90.0 -42.43 11.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.963 1.305 . . . . 6.0 112.626 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.82 -45.41 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.898 1.279 . . . . 6.0 112.808 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.53 -51.3 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.426 1.49 . . . . 6.0 111.126 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.3 m -56.57 -31.0 63.8 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.856 1.428 . . . . 6.0 114.856 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -63.21 -57.5 10.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.162 0.892 . . . . 6.0 110.705 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -56.74 -32.62 65.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.352 1.461 . . . . 6.0 112.986 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -71.71 -9.95 59.04 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.861 1.43 . . . . 6.0 114.861 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -127.78 -29.57 2.59 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.19 1.552 . . . . 6.0 115.19 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.7 t -68.64 140.29 55.49 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.465 1.029 . . . . 6.0 112.779 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 59.8 p -132.0 -7.19 3.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.887 1.675 . . . . 6.0 113.419 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.65 116.78 6.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.612 1.565 . . . . 6.0 110.087 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.28 -22.59 66.3 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.801 0.667 . . . . 6.0 112.801 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -102.91 13.91 33.21 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.88 1.067 . . . . 6.0 113.88 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.74 126.2 79.49 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 105.33 -2.1 . . . . 6.0 105.33 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.73 -39.16 35.83 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.775 1.65 . . . . 6.0 111.281 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.78 -52.13 18.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.591 1.156 . . . . 6.0 110.938 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.49 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.8 m -69.77 -31.47 69.43 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.744 1.757 . . . . 6.0 115.744 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 59.4 tp -41.25 -53.3 6.85 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 120.8 1.636 . . . . 6.0 115.32 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.05 -38.26 88.39 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 CA-C-N 122.32 1.864 . . . . 6.0 113.124 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.35 -42.06 72.34 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.38 1.445 . . . . 6.0 111.519 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.49 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 36.3 mttt -61.63 -36.4 80.67 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.781 1.232 . . . . 6.0 109.427 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -69.56 -48.17 61.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.85 0.86 . . . . 6.0 110.442 172.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.32 -19.12 4.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.941 2.096 . . . . 6.0 114.197 177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 73.2 p -124.19 7.97 8.52 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.504 1.522 . . . . 6.0 114.915 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -152.41 -24.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.896 1.813 . . . . 6.0 115.896 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -120.29 -31.05 4.47 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.331 1.604 . . . . 6.0 115.331 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 . . . . . 0 N--CA 1.48 1.072 0 C-N-CA 125.776 1.63 . . . . 6.0 112.628 -178.144 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.474 0 N-CA-C 114.777 0.671 . . . . 6.0 114.777 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 80.5 p -70.05 -14.32 62.63 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.477 1.511 . . . . 6.0 114.536 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -151.97 166.14 32.46 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.454 1.902 . . . . 6.0 111.468 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.31 145.43 55.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.848 0.859 . . . . 6.0 111.899 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.0 m -142.08 152.28 61.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.581 1.553 . . . . 6.0 111.622 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.33 174.86 10.84 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 123.365 2.71 . . . . 6.0 112.644 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -45.76 109.24 0.92 Allowed Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 126.726 2.011 . . . . 6.0 114.873 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 160.28 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.768 2.312 . . . . 6.0 113.227 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.68 113.48 3.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.902 1.681 . . . . 6.0 113.692 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.28 126.61 78.87 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 125.858 1.663 . . . . 6.0 110.567 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -56.27 128.01 28.37 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.451 2.101 . . . . 6.0 113.445 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -48.41 -45.22 35.77 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.587 1.555 . . . . 6.0 114.354 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.06 -24.02 67.34 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.672 0.989 . . . . 6.0 113.672 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.2 -24.16 21.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.262 1.025 . . . . 6.0 113.103 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -56.06 -39.59 72.26 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 120.254 1.388 . . . . 6.0 111.702 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.26 -16.01 64.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.415 1.486 . . . . 6.0 114.497 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 34.5 mt -68.74 128.14 35.6 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.559 1.072 . . . . 6.0 110.857 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -69.98 104.6 2.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.613 0.765 . . . . 6.0 110.118 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.56 -10.3 57.53 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.61 -49.92 88.49 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.495 1.498 . . . . 6.0 114.354 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.4 -22.57 28.99 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 CA-C-N 121.418 1.542 . . . . 6.0 111.818 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 30.9 mtt -67.43 -16.67 64.36 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.382 1.073 . . . . 6.0 113.108 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.79 -22.17 8.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.809 1.411 . . . . 6.0 114.809 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 29.8 pt -62.56 -30.93 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 119.389 0.995 . . . . 6.0 111.672 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -84.78 -10.18 57.46 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.413 1.885 . . . . 6.0 114.334 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -48.63 -22.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 117.31 2.337 . . . . 6.0 117.31 -173.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.07 33.87 1.36 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.151 1.38 . . . . 6.0 112.377 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -131.66 22.39 4.66 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.341 1.978 . . . . 6.0 116.341 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -142.08 151.36 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.214 0.915 . . . . 6.0 113.029 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -116.85 82.89 1.88 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.043 2.137 . . . . 6.0 108.856 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -49.05 -36.03 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.963 1.305 . . . . 6.0 112.459 -174.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.8 mt-10 -93.42 -19.78 20.96 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.476 2.028 . . . . 6.0 116.476 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -99.1 -17.98 17.94 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.224 1.374 . . . . 6.0 114.392 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.509 1.123 . . . . 6.0 111.479 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.3 140.74 97.75 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.024 1.73 . . . . 6.0 114.33 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 13.37 0.91 Allowed 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 124.224 3.283 . . . . 6.0 114.858 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.28 0.8 OUTLIER 48.5 31.39 2.84 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.733 2.413 . . . . 6.0 117.185 178.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -84.67 -80.59 1.08 Allowed Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.033 0.825 . . . . 6.0 113.393 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.04 151.17 19.78 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 126.347 1.859 . . . . 6.0 110.185 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -72.76 -49.79 0.24 Allowed 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.048 1.832 . . . . 6.0 113.789 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.18 -28.64 69.28 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.811 1.244 . . . . 6.0 112.814 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -31.43 67.3 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.683 2.393 . . . . 6.0 111.057 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.41 -17.29 29.31 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.762 1.393 . . . . 6.0 114.762 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -54.78 -30.91 53.48 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.111 0.862 . . . . 6.0 113.058 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -126.47 -15.44 5.6 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.319 1.448 . . . . 6.0 113.831 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.7 -19.07 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.478 1.288 . . . . 6.0 114.478 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 8.3 t -160.35 166.47 29.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.623 1.169 . . . . 6.0 112.42 -174.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 13.9 m 30.63 67.34 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 C-N-CA 128.636 2.774 . . . . 6.0 116.008 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.76 169.2 2.6 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.852 1.797 . . . . 6.0 115.852 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.82 -44.79 63.66 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.423 -1.423 . . . . 6.0 113.12 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.89 -29.38 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.898 0.879 . . . . 6.0 111.815 175.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.6 -38.37 86.86 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.204 1.801 . . . . 6.0 112.932 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 16.3 m -101.26 -7.35 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.56 1.144 . . . . 6.0 112.709 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 19.5 t 65.29 -41.67 0.32 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.185 2.994 . . . . 6.0 115.308 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 33.96 66.11 1.37 Allowed Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 128.624 2.77 . . . . 6.0 115.337 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.68 -15.06 30.37 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 124.022 3.148 . . . . 6.0 113.263 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 75.8 p . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 125.473 1.509 . . . . 6.0 112.467 177.621 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 113.554 0.946 . . . . 6.0 113.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 14.8 t -148.05 -29.81 0.31 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.19 1.396 . . . . 6.0 113.558 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -172.32 52.82 0.17 Allowed Glycine 0 CA--C 1.537 1.454 0 CA-C-O 118.509 -1.162 . . . . 6.0 115.045 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.12 -23.54 75.65 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.089 2.526 . . . . 6.0 113.305 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 25.6 p -76.92 -4.81 45.77 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.85 1.66 . . . . 6.0 113.23 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -128.39 -35.31 1.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.92 1.288 . . . . 6.0 114.304 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.8 t70 14.99 91.79 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 130.047 3.339 . . . . 6.0 115.646 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.47 -41.04 23.41 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.96 3.773 . . . . 6.0 115.977 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.65 -47.92 36.3 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.351 -0.843 . . . . 6.0 112.0 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -40.99 95.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.711 -0.618 . . . . 6.0 109.886 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -54.78 -46.22 74.4 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.89 1.676 . . . . 6.0 110.755 173.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -63.87 -33.59 76.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.173 0.989 . . . . 6.0 112.362 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.04 -46.97 72.81 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.63 1.104 . . . . 6.0 113.563 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.39 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.5 1.5 . . . . 6.0 111.056 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.42 -48.32 71.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.371 0.987 . . . . 6.0 112.531 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -67.04 -42.53 84.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.176 -0.916 . . . . 6.0 112.748 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.909 1.232 . . . . 6.0 110.758 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.57 -57.01 12.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.877 0.871 . . . . 6.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.405 HG21 HG23 ' B' ' 812' ' ' ILE . 33.3 t -59.71 -40.72 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 381' ' ' LEU . 11.3 mt -59.98 -39.27 85.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.94 0.791 . . . . 6.0 111.736 176.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.45 -45.39 83.98 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.067 0.849 . . . . 6.0 110.688 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.18 -44.46 75.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.454 0.702 . . . . 6.0 111.342 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.39 -58.82 5.38 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.788 0.435 . . . . 6.0 110.471 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.19 -38.08 56.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.57 1.693 . . . . 6.0 115.57 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -58.4 -59.89 4.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.839 1.199 . . . . 6.0 111.12 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -68.58 -32.11 71.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.831 -0.604 . . . . 6.0 111.959 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.7 t -61.78 -40.12 94.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.859 0.754 . . . . 6.0 111.044 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -59.91 -41.39 91.61 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.854 -1.154 . . . . 6.0 109.474 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -60.68 -41.38 94.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.334 0.97 . . . . 6.0 111.711 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.64 -51.12 70.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.9 0.88 . . . . 6.0 110.777 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.84 -33.45 68.47 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.896 0.879 . . . . 6.0 113.274 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.64 -41.55 95.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.946 1.298 . . . . 6.0 110.044 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.01 -28.36 62.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.047 0.939 . . . . 6.0 112.525 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.9 -28.54 66.77 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.27 1.028 . . . . 6.0 113.38 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 83.68 -16.45 31.05 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.289 1.424 . . . . 6.0 115.143 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -142.4 147.99 37.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.754 2.022 . . . . 6.0 109.646 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.18 152.68 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.638 1.175 . . . . 6.0 112.05 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 -33.98 0.3 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.273 1.429 . . . . 6.0 114.729 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -163.84 177.43 8.61 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.451 1.5 . . . . 6.0 112.354 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 49.6 t -141.51 170.85 14.94 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.443 2.297 . . . . 6.0 110.015 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 63.3 m -70.9 -24.12 62.41 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.242 1.417 . . . . 6.0 113.188 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.652 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER -77.9 124.47 86.22 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.82 0.848 . . . . 6.0 111.291 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.652 ' HD2' HD13 ' A' ' 381' ' ' LEU . 39.7 Cg_exo -43.29 -30.34 2.24 Favored 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.039 4.493 . . . . 6.0 118.269 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -131.19 21.26 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.721 1.208 . . . . 6.0 113.711 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 -47.69 65.42 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.377 -0.827 . . . . 6.0 111.652 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -34.83 75.21 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.565 1.146 . . . . 6.0 113.057 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.3 m -64.7 -50.59 66.35 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.482 1.113 . . . . 6.0 108.907 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -45.21 87.08 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.082 0.953 . . . . 6.0 111.133 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -56.22 -42.11 76.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.189 0.996 . . . . 6.0 112.03 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -65.52 -44.12 87.9 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.36 0.664 . . . . 6.0 111.704 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.99 -42.08 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.112 0.965 . . . . 6.0 110.965 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.52 -49.03 70.47 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.871 1.668 . . . . 6.0 112.163 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.83 -42.55 89.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.826 -0.547 . . . . 6.0 110.757 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -59.49 -53.81 53.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.541 0.737 . . . . 6.0 110.434 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 60.7 mtp -52.58 -35.27 53.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.122 1.769 . . . . 6.0 113.976 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 20.3 m -65.82 -14.44 61.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.41 1.084 . . . . 6.0 113.272 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -122.04 -28.77 4.35 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.067 1.347 . . . . 6.0 112.7 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.41 137.47 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.78 1.632 . . . . 6.0 111.769 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -129.15 -3.61 5.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 6.0 113.152 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.17 60.77 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.89 0.876 . . . . 6.0 112.627 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 38.67 -104.33 0.03 OUTLIER Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.91 2.195 . . . . 6.0 114.56 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -56.33 -13.45 2.19 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.59 1.7 . . . . 6.0 115.59 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -122.4 13.28 10.23 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.71 2.004 . . . . 6.0 113.581 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 17.9 t -66.05 178.76 1.05 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.836 1.254 . . . . 6.0 112.752 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -119.29 -12.67 9.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.95 2.1 . . . . 6.0 113.449 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.5 t -84.59 117.36 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.932 -1.136 . . . . 6.0 107.932 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.62 68.55 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.495 1.665 . . . . 6.0 115.495 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -82.99 -27.32 30.51 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.252 1.205 . . . . 6.0 114.252 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.08 -64.86 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.734 1.614 . . . . 6.0 113.005 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.63 78.2 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.89 0.7 . . . . 6.0 112.89 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.469 ' HA ' HD22 ' B' ' 798' ' ' LEU . 71.9 m -66.58 -45.32 79.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 122.129 -0.357 . . . . 6.0 111.565 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.9 m -59.39 -45.35 91.72 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.754 1.221 . . . . 6.0 111.722 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -39.09 33.98 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.988 1.715 . . . . 6.0 112.212 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -85.88 -41.58 14.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.72 1.208 . . . . 6.0 112.239 176.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -41.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.372 0.987 . . . . 6.0 112.555 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.31 -47.73 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.726 1.611 . . . . 6.0 110.45 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.1 t -54.74 -30.88 57.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.467 1.284 . . . . 6.0 114.467 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -68.49 -59.66 2.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.382 0.992 . . . . 6.0 111.964 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.91 -30.69 69.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.861 0.865 . . . . 6.0 112.392 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.89 -13.27 61.52 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.343 1.457 . . . . 6.0 114.383 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -134.16 -26.12 1.51 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.255 1.946 . . . . 6.0 116.255 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.0 t -64.47 149.66 48.1 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.868 1.213 . . . . 6.0 113.74 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 71.2 p -136.46 -3.49 2.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.541 1.936 . . . . 6.0 113.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -63.66 113.57 3.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.045 1.338 . . . . 6.0 111.97 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -68.49 -5.0 17.01 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.17 0.804 . . . . 6.0 113.17 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -128.55 15.95 6.5 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.402 1.881 . . . . 6.0 113.501 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.11 129.36 79.07 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.523 1.129 . . . . 6.0 109.225 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.09 -44.94 42.09 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.658 2.239 . . . . 6.0 111.635 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.44 -52.87 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.801 1.24 . . . . 6.0 112.001 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.515 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 33.6 m -70.13 -27.22 64.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -42.79 -53.27 10.14 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 120.917 1.689 . . . . 6.0 114.835 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.86 -35.75 98.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 CA-C-N 122.022 1.758 . . . . 6.0 113.353 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.21 -41.53 61.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.708 1.595 . . . . 6.0 111.732 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.515 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 45.5 mttt -63.99 -28.16 69.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.087 1.355 . . . . 6.0 110.353 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.3 -46.37 16.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.883 1.273 . . . . 6.0 109.849 171.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.552 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -51.46 -42.27 61.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.834 1.654 . . . . 6.0 113.056 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 64.9 p -80.53 4.72 17.45 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -146.28 -37.37 0.24 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.772 1.767 . . . . 6.0 115.772 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -151.4 48.88 0.82 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.71 1.204 . . . . 6.0 113.108 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 . . . . . 0 N--CA 1.483 1.19 0 C-N-CA 125.077 1.351 . . . . 6.0 114.57 -179.853 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.49 0 N-CA-C 114.753 0.661 . . . . 6.0 114.753 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 76.8 p -58.91 -16.63 18.54 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.987 1.715 . . . . 6.0 115.164 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -69.46 -9.72 54.92 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.293 1.437 . . . . 6.0 113.383 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 11.5 tpt -137.79 167.16 22.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.23 1.812 . . . . 6.0 111.233 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 25.7 m -130.37 149.68 74.06 Favored Pre-proline 0 N--CA 1.479 0.982 0 C-N-CA 125.504 1.522 . . . . 6.0 111.944 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -77.06 175.21 11.66 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.493 2.795 . . . . 6.0 113.434 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -50.65 116.97 7.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.951 2.1 . . . . 6.0 111.845 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.41 154.88 33.03 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.206 2.604 . . . . 6.0 112.892 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.0 106.66 1.08 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.814 1.245 . . . . 6.0 112.766 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.23 127.17 29.04 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 127.36 2.264 . . . . 6.0 110.831 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -52.17 124.77 15.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.236 2.624 . . . . 6.0 113.54 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -51.04 -37.64 46.61 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.464 1.283 . . . . 6.0 114.464 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.08 -28.79 69.7 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.974 0.91 . . . . 6.0 112.408 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.09 -28.18 19.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.521 1.129 . . . . 6.0 112.939 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -56.27 -37.49 69.9 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 120.319 1.418 . . . . 6.0 111.882 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -70.45 -13.22 62.03 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.102 1.361 . . . . 6.0 114.277 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.1 mt -68.15 132.37 47.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.82 1.191 . . . . 6.0 111.009 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.37 103.55 3.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.759 0.823 . . . . 6.0 109.297 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -5.19 59.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.667 1.587 . . . . 6.0 115.154 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.74 -42.96 98.21 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 114.35 1.241 . . . . 6.0 114.35 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.2 -26.87 12.18 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 122.11 1.789 . . . . 6.0 111.128 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -17.53 63.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 6.0 112.861 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -50.56 -24.33 3.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.601 1.334 . . . . 6.0 114.601 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.7 pt -68.91 -29.3 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 118.959 0.8 . . . . 6.0 112.348 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -83.53 -10.91 58.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.276 1.83 . . . . 6.0 114.038 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.38 -27.0 0.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.138 2.644 . . . . 6.0 118.138 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -147.8 37.44 0.89 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.434 1.015 . . . . 6.0 111.687 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.7 m -123.5 21.79 9.32 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.996 1.318 . . . . 6.0 114.068 -174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.9 t -143.6 153.96 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.477 1.111 . . . . 6.0 111.423 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -118.72 85.93 2.45 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.225 1.81 . . . . 6.0 107.65 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.7 -36.41 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.735 1.214 . . . . 6.0 111.885 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.0 mt-10 -90.51 -19.98 23.19 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.282 1.956 . . . . 6.0 116.282 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -98.91 -17.51 18.33 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.536 1.516 . . . . 6.0 114.992 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -39.78 85.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 6.0 110.738 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.6 139.56 86.45 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.341 1.456 . . . . 6.0 113.092 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.3 16.01 1.1 Allowed 'Trans proline' 0 CA--C 1.552 1.381 0 C-N-CA 124.252 3.301 . . . . 6.0 114.513 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.308 0.7 OUTLIER 48.74 34.04 4.84 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.309 2.244 . . . . 6.0 116.889 -179.601 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -91.51 -65.75 1.15 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.503 0.573 . . . . 6.0 113.899 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 820' ' ' ASP . . . . . 0.543 ' H ' HD12 ' B' ' 823' ' ' LEU . 11.5 m-20 -157.78 159.07 30.68 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 125.163 1.385 . . . . 6.0 114.23 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -71.86 -35.92 6.83 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 121.296 1.331 . . . . 6.0 109.561 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.16 -13.54 62.05 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.108 2.163 . . . . 6.0 113.802 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 823' ' ' LEU . . . . . 0.543 HD12 ' H ' ' B' ' 820' ' ' ASP . 2.4 mt -51.28 -27.96 10.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.551 1.94 . . . . 6.0 112.443 175.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.9 -23.62 0.82 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.902 2.081 . . . . 6.0 114.162 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -62.37 -25.27 66.59 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.448 1.023 . . . . 6.0 114.439 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -138.64 -20.62 1.02 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.621 1.341 . . . . 6.0 114.621 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.12 -11.74 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.783 1.401 . . . . 6.0 114.783 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.1 t -153.68 -164.85 1.98 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.018 0.927 . . . . 6.0 113.372 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 27.9 m -36.98 157.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.036 1 C-N-CA 132.15 4.18 . . . . 6.0 116.239 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 830' ' ' ASP . . . . . 0.414 ' H ' ' CB ' ' B' ' 833' ' ' TYR . 30.5 t0 -142.75 173.29 11.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.243 1.417 . . . . 6.0 113.574 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -49.07 -44.33 41.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.419 1.487 . . . . 6.0 113.827 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.96 -27.78 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.899 0.88 . . . . 6.0 112.312 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 833' ' ' TYR . . . . . 0.414 ' CB ' ' H ' ' B' ' 830' ' ' ASP . 0.5 OUTLIER -70.43 -24.55 62.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.882 2.073 . . . . 6.0 113.046 177.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 16.9 m -119.48 12.62 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.2 1.8 . . . . 6.0 111.157 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . 0.266 28.0 p 47.45 7.76 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 130.417 3.487 . . . . 6.0 118.951 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.01 153.06 71.33 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 126.135 1.774 . . . . 6.0 111.374 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.13 -14.56 28.86 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.343 2.695 . . . . 6.0 114.488 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.472 0.672 0 C-N-CA 125.474 1.51 . . . . 6.0 111.959 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.864 0 N-CA-C 113.671 0.989 . . . . 6.0 113.671 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.3 p -65.17 -7.34 12.2 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.382 1.873 . . . . 6.0 115.663 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -166.45 174.96 41.95 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.684 1.135 . . . . 6.0 113.528 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.96 -27.4 79.67 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.637 2.891 . . . . 6.0 113.316 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 21.4 p -67.85 -4.97 14.38 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.833 1.653 . . . . 6.0 113.653 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -141.26 21.74 2.23 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.298 1.839 . . . . 6.0 111.266 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.82 110.76 4.13 Favored Pre-proline 0 CA--C 1.555 1.165 0 O-C-N 120.257 -1.527 . . . . 6.0 113.581 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.88 -42.64 65.0 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.031 3.154 . . . . 6.0 115.999 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.43 -47.36 67.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.289 -0.882 . . . . 6.0 111.435 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -41.34 98.73 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.851 0.46 . . . . 6.0 110.36 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -54.8 -47.62 73.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.063 1.345 . . . . 6.0 110.863 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.466 1.106 . . . . 6.0 112.431 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.01 -47.49 61.91 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.958 1.096 . . . . 6.0 113.958 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -39.0 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 120.368 1.44 . . . . 6.0 110.459 174.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.38 -48.17 77.43 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.131 0.878 . . . . 6.0 112.867 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -68.09 -44.22 76.74 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.18 -0.914 . . . . 6.0 112.462 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.87 -45.78 90.94 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.838 1.199 . . . . 6.0 110.597 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.63 -58.47 6.27 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.199 0.999 . . . . 6.0 110.663 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.458 HG21 HG23 ' B' ' 812' ' ' ILE . 25.9 t -60.23 -40.05 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 113.398 0.888 . . . . 6.0 113.398 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.453 HD21 HD12 ' A' ' 381' ' ' LEU . 11.1 mt -58.72 -38.06 77.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.794 0.725 . . . . 6.0 111.61 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.11 -44.51 79.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.635 0.652 . . . . 6.0 110.541 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.63 -44.02 76.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.708 0.403 . . . . 6.0 110.924 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -64.63 -57.48 8.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.929 0.491 . . . . 6.0 111.069 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.44 -37.12 62.28 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.073 1.138 . . . . 6.0 114.073 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -55.98 -54.06 49.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.515 0.726 . . . . 6.0 111.05 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -71.47 -35.46 70.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.511 0.724 . . . . 6.0 111.707 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 10.1 t -61.04 -39.74 90.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 119.615 1.098 . . . . 6.0 111.705 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -59.42 -34.26 72.27 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.937 -1.102 . . . . 6.0 110.678 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.62 -38.75 47.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.436 1.494 . . . . 6.0 111.816 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -51.72 -43.34 62.8 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.52 2.328 . . . . 6.0 112.43 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.24 -52.32 66.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 6.0 111.515 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.58 -37.34 79.79 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.491 0.717 . . . . 6.0 112.281 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.97 98.39 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.402 1.081 . . . . 6.0 112.326 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.63 48.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.921 0.488 . . . . 6.0 111.497 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 65.43 -5.09 1.67 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 118.749 2.259 . . . . 6.0 118.749 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -135.42 12.47 3.5 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.771 1.785 . . . . 6.0 114.44 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.461 HG22 ' H ' ' A' ' 378' ' ' ALA . 7.9 p -156.42 146.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.69 1.196 . . . . 6.0 112.008 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 5.92 7.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.435 1.894 . . . . 6.0 114.124 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 378' ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' ' 376' ' ' VAL . . . -68.92 152.21 45.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.119 1.368 . . . . 6.0 113.306 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.7 t -154.16 -174.71 5.07 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.012 2.125 . . . . 6.0 110.422 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.0 m -137.6 -10.26 1.63 Allowed 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.175 1.546 . . . . 6.0 115.175 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER -70.37 124.51 90.95 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-N 120.412 1.46 . . . . 6.0 111.464 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 381' ' ' LEU . 44.4 Cg_exo -44.09 -30.67 3.49 Favored 'Trans proline' 0 CA--C 1.54 0.821 1 C-N-CA 126.039 4.493 . . . . 6.0 118.337 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -131.36 22.74 4.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.955 1.302 . . . . 6.0 113.027 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 384' ' ' CYS . . . . . 0.421 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.13 -48.56 67.81 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.202 -0.936 . . . . 6.0 112.298 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -33.94 73.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.994 0.918 . . . . 6.0 112.896 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 71.0 m -63.4 -50.06 71.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.704 1.201 . . . . 6.0 108.76 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -44.85 83.84 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 6.0 111.67 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' LYS . . . . . 0.421 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 44.5 mttp -55.9 -43.63 77.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.694 1.134 . . . . 6.0 111.626 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -65.01 -43.47 92.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.43 0.692 . . . . 6.0 111.809 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.26 -41.77 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.812 0.845 . . . . 6.0 110.655 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.41 -49.47 69.11 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.053 1.341 . . . . 6.0 111.959 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -62.02 -38.89 90.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.209 0.458 . . . . 6.0 111.675 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -59.73 -49.49 77.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.301 -0.629 . . . . 6.0 109.301 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.4 mtp -53.32 -38.17 62.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.033 1.333 . . . . 6.0 111.465 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.36 0.73 1.95 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 177.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -130.14 -25.45 2.48 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.708 1.603 . . . . 6.0 112.723 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.18 155.23 28.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.075 1.75 . . . . 6.0 114.008 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -142.67 7.08 1.67 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.738 2.015 . . . . 6.0 113.121 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.66 2.1 23.83 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.02 -132.82 45.14 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.053 -1.029 . . . . 6.0 113.941 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -76.68 3.71 11.07 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.601 1.56 . . . . 6.0 113.888 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -120.54 15.85 12.02 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.954 1.464 . . . . 6.0 114.954 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.45 150.0 27.9 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.966 1.098 . . . . 6.0 113.966 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.51 -27.43 63.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.405 1.482 . . . . 6.0 111.77 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.17 112.15 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 108.032 -1.099 . . . . 6.0 108.032 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.29 -41.84 60.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.334 1.605 . . . . 6.0 115.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -80.15 -29.45 38.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.976 1.102 . . . . 6.0 113.976 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.27 -65.08 0.67 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.177 1.391 . . . . 6.0 112.497 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.8 70.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.451 ' HA ' HD22 ' B' ' 798' ' ' LEU . 66.6 m -70.06 -44.75 68.49 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.993 -0.442 . . . . 6.0 111.729 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.6 m -59.92 -47.56 85.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.563 1.145 . . . . 6.0 111.43 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -49.04 -38.34 23.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.584 1.954 . . . . 6.0 112.325 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -82.54 -43.78 16.7 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.461 1.104 . . . . 6.0 112.152 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.2 tt -55.66 -45.71 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.817 1.247 . . . . 6.0 113.701 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.473 HD13 HG11 ' B' ' 829' ' ' VAL . 16.9 mt -57.34 -47.99 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.47 1.508 . . . . 6.0 111.486 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.1 m -56.18 -27.18 53.46 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.517 1.303 . . . . 6.0 114.517 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.38 -61.85 1.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.146 0.885 . . . . 6.0 110.829 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -55.66 -37.48 68.33 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.229 1.412 . . . . 6.0 113.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -65.68 -9.95 32.0 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.884 1.274 . . . . 6.0 114.055 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -133.44 -27.52 1.55 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.202 1.927 . . . . 6.0 116.202 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 17.8 t -64.73 147.08 53.81 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 120.165 1.348 . . . . 6.0 113.703 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.1 p -138.29 -6.03 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.333 1.853 . . . . 6.0 113.928 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.41 117.31 5.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.319 1.448 . . . . 6.0 111.073 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -67.9 -7.95 32.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -126.84 15.58 7.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.843 1.257 . . . . 6.0 113.256 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.3 t -56.53 125.66 67.5 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 107.137 -1.431 . . . . 6.0 107.137 173.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.78 -43.21 32.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.188 1.925 . . . . 6.0 112.0 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.19 -53.51 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.324 1.05 . . . . 6.0 111.048 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.545 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.5 m -68.45 -28.36 66.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.102 1.519 . . . . 6.0 115.102 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.0 tp -42.42 -54.11 8.36 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 121.308 1.867 . . . . 6.0 114.933 -174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.93 -35.82 97.94 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 CA-C-N 122.387 1.888 . . . . 6.0 113.368 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.15 -36.3 72.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.475 1.489 . . . . 6.0 111.284 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.545 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.0 mttt -71.36 -24.05 62.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.162 1.785 . . . . 6.0 110.321 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.1 -34.39 26.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.435 1.494 . . . . 6.0 110.08 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.694 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -63.55 -179.38 0.35 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.126 1.77 . . . . 6.0 107.489 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 26.5 p 61.77 17.46 8.8 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.057 -1.652 . . . . 6.0 113.103 -174.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.0 t70 58.77 14.25 3.11 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.638 2.375 . . . . 6.0 114.71 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -13.24 59.36 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.965 -1.084 . . . . 6.0 113.44 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 129.07 2.948 . . . . 6.0 114.22 175.472 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 121.295 0.386 . . . . 6.0 114.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 82.4 p -154.72 175.57 13.53 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.217 1.407 . . . . 6.0 112.262 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -73.41 -7.5 51.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.354 1.061 . . . . 6.0 113.85 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 94.1 mmm -64.58 139.36 58.76 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.484 1.114 . . . . 6.0 112.212 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.77 147.62 98.64 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 123.929 0.891 . . . . 6.0 112.7 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -70.87 133.34 23.34 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.645 2.23 . . . . 6.0 111.695 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -154.35 116.13 2.53 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 125.245 1.418 . . . . 6.0 109.32 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.62 161.15 10.32 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.69 2.26 . . . . 6.0 113.692 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -63.86 109.57 1.8 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.111 1.764 . . . . 6.0 113.721 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 791' ' ' LEU . . . . . 0.462 HD23 ' HD2' ' B' ' 792' ' ' PRO . 1.6 tt -57.54 123.53 62.71 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 126.138 1.775 . . . . 6.0 111.188 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 792' ' ' PRO . . . . . 0.462 ' HD2' HD23 ' B' ' 791' ' ' LEU . 11.2 Cg_endo -50.66 128.94 25.41 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.338 2.692 . . . . 6.0 113.343 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -54.13 -35.92 62.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.367 1.247 . . . . 6.0 114.367 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.8 -27.72 63.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.178 0.991 . . . . 6.0 112.658 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.17 -38.11 13.72 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 796' ' ' ARG . . . . . 0.411 ' HB3' HD22 ' B' ' 791' ' ' LEU . 13.8 ptt180 -60.74 -24.45 65.73 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.31 1.414 . . . . 6.0 112.772 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.64 -23.07 65.31 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.465 1.906 . . . . 6.0 113.186 174.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 410' ' ' SER . 53.7 mt -66.25 131.52 46.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.143 0.977 . . . . 6.0 110.71 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -73.2 114.14 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.345 -0.983 . . . . 6.0 108.345 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -1.03 57.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.125 1.77 . . . . 6.0 115.262 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.56 -45.56 99.66 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 120.22 1.373 . . . . 6.0 112.946 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -61.58 -37.23 71.35 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.236 1.958 . . . . 6.0 111.825 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -18.45 61.17 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.84 -24.56 16.07 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.27 1.395 . . . . 6.0 114.378 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 15.9 pt -64.62 -28.51 44.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 119.241 0.928 . . . . 6.0 111.77 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.06 -9.92 54.26 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.902 2.081 . . . . 6.0 114.179 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -43.0 -26.58 0.15 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 118.0 2.592 . . . . 6.0 118.0 -171.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -148.97 41.39 0.92 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.049 1.295 . . . . 6.0 111.868 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.5 m -125.56 22.46 7.62 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.701 1.371 . . . . 6.0 114.701 -174.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.3 t -143.35 155.04 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.174 0.99 . . . . 6.0 111.973 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -122.78 81.43 1.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.311 1.844 . . . . 6.0 109.04 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.22 -40.51 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.481 1.912 . . . . 6.0 113.055 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.694 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.5 mt-10 -87.31 -19.86 27.63 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.49 1.663 . . . . 6.0 115.49 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -97.69 -23.74 15.81 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.61 1.337 . . . . 6.0 114.61 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -42.92 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.72 1.208 . . . . 6.0 111.813 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 21.4 tpp -57.97 140.27 82.23 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.205 1.802 . . . . 6.0 113.053 -175.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -69.18 25.09 0.16 Allowed 'Trans proline' 0 CA--C 1.553 1.457 0 C-N-CA 124.833 3.689 . . . . 6.0 116.244 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 0.9 OUTLIER 43.76 31.46 0.47 Allowed 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 127.999 2.52 . . . . 6.0 117.697 175.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -110.9 -66.11 0.53 Allowed Glycine 0 N--CA 1.477 1.401 0 CA-C-N 119.098 0.863 . . . . 6.0 115.053 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -154.91 151.64 23.67 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 125.934 1.694 . . . . 6.0 111.486 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -86.33 -49.7 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.69 2.26 . . . . 6.0 113.401 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.76 -18.0 52.3 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.251 1.42 . . . . 6.0 113.331 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.265 0.1 OUTLIER -55.16 -17.54 4.41 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 129.343 3.057 . . . . 6.0 111.754 173.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -46.14 -33.93 3.9 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.166 1.787 . . . . 6.0 113.868 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -54.75 -20.35 18.11 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.19 1.376 . . . . 6.0 114.876 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -136.84 17.35 3.05 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.404 1.882 . . . . 6.0 112.787 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -128.95 -10.67 4.84 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 116.72 2.119 . . . . 6.0 116.72 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 11.5 t -150.93 -175.47 5.15 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.532 -0.73 . . . . 6.0 112.846 -175.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 829' ' ' VAL . . . . . 0.473 HG11 HD13 ' A' ' 415' ' ' ILE . 2.6 t -35.76 137.09 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 128.618 2.767 . . . . 6.0 113.363 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.22 177.85 7.49 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.578 2.066 . . . . 6.0 116.578 -170.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.12 -40.05 80.27 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.502 -1.374 . . . . 6.0 111.999 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.7 4.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.82 1.648 . . . . 6.0 112.364 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -115.06 -42.13 3.24 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.392 1.877 . . . . 6.0 113.274 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 33.0 m -70.24 -3.98 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.225 1.01 . . . . 6.0 113.61 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 8.1 t -151.19 179.86 7.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.563 2.345 . . . . 6.0 110.132 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.37 142.07 15.39 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 125.143 1.377 . . . . 6.0 113.021 176.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.45 165.25 32.37 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.068 2.512 . . . . 6.0 112.912 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 125.863 1.665 . . . . 6.0 111.592 179.486 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.523 ' N ' ' HG1' ' A' ' 344' ' ' THR . . . . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 114.55 1.315 . . . . 6.0 114.55 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 71.3 p -138.54 -27.89 0.84 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.804 1.642 . . . . 6.0 113.933 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 154.4 -81.26 0.18 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.856 1.217 . . . . 6.0 111.858 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.59 -21.35 65.67 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.283 2.655 . . . . 6.0 112.255 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.523 ' HG1' ' N ' ' A' ' 340' ' ' ALA . 17.4 p -71.67 -11.61 60.92 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.866 2.067 . . . . 6.0 113.363 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -128.27 -34.89 2.04 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.916 1.286 . . . . 6.0 113.914 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.1 t0 19.43 88.39 0.06 OUTLIER Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 130.077 3.351 . . . . 6.0 115.662 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.97 -38.95 32.25 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.856 3.704 . . . . 6.0 115.57 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.28 -50.87 50.69 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.832 0.853 . . . . 6.0 111.197 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -62.03 -44.88 95.76 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.064 0.945 . . . . 6.0 111.085 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -50.89 -42.77 59.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.406 1.482 . . . . 6.0 111.371 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.51 -40.89 89.43 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.676 0.671 . . . . 6.0 112.413 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 807' ' ' ARG . 62.7 mt -58.89 -50.11 75.25 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.942 1.09 . . . . 6.0 113.942 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -41.99 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 120.043 1.292 . . . . 6.0 111.038 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.84 -47.41 74.17 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.58 1.082 . . . . 6.0 112.26 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.85 -47.05 82.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.651 1.18 . . . . 6.0 111.994 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.92 -43.43 95.94 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.741 1.155 . . . . 6.0 111.31 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.56 -55.79 27.86 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.683 0.793 . . . . 6.0 110.325 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.1 -39.62 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.951 0.722 . . . . 6.0 112.951 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 381' ' ' LEU . 13.8 mt -59.98 -40.95 90.88 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.811 0.732 . . . . 6.0 111.502 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.931 0.787 . . . . 6.0 110.377 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.74 -44.77 77.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.05 0.54 . . . . 6.0 111.339 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -62.59 -59.98 4.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.761 0.424 . . . . 6.0 110.337 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.29 -40.43 61.79 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.255 1.576 . . . . 6.0 115.255 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.91 -51.88 67.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.893 0.77 . . . . 6.0 111.754 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -69.92 -33.42 72.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.323 0.649 . . . . 6.0 111.443 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.62 -33.95 77.14 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.532 -0.73 . . . . 6.0 111.238 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -65.65 -33.52 76.09 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.973 -1.704 . . . . 6.0 109.603 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -67.7 -45.74 74.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.274 1.03 . . . . 6.0 109.992 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -54.68 -46.7 74.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.666 1.986 . . . . 6.0 111.949 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.96 -47.92 83.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.184 0.994 . . . . 6.0 111.747 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.69 -37.43 82.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.39 0.676 . . . . 6.0 112.517 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.69 92.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.068 0.947 . . . . 6.0 111.624 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -71.09 -46.17 62.3 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.939 0.896 . . . . 6.0 111.139 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 78.48 -9.4 35.31 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.577 1.561 . . . . 6.0 116.487 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -146.18 38.18 1.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.185 1.493 . . . . 6.0 111.344 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 144.31 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.545 1.538 . . . . 6.0 113.966 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -102.48 -48.55 4.12 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.043 1.337 . . . . 6.0 112.487 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -161.44 -173.12 3.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.673 1.189 . . . . 6.0 113.674 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.3 t -138.58 -167.85 2.28 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.128 2.571 . . . . 6.0 109.475 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 60.5 m -128.57 -6.76 5.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.787 1.635 . . . . 6.0 114.571 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.634 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER -93.84 124.26 57.13 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.573 1.079 . . . . 6.0 112.382 -179.658 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 381' ' ' LEU . 75.9 Cg_exo -46.15 -32.67 10.52 Favored 'Trans proline' 0 C--N 1.354 0.834 1 C-N-CA 125.696 4.264 . . . . 6.0 117.224 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -123.77 18.86 9.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.174 1.39 . . . . 6.0 113.89 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.82 -49.46 68.32 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.526 0.679 . . . . 6.0 110.497 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -31.64 72.88 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 24.2 m -66.16 -51.33 58.83 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.734 1.214 . . . . 6.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -46.54 85.74 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.833 1.253 . . . . 6.0 111.471 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -56.5 -41.63 76.98 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.68 1.127 . . . . 6.0 112.055 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -64.73 -43.8 92.24 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.268 0.627 . . . . 6.0 111.793 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.75 -38.74 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.108 0.963 . . . . 6.0 111.164 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.02 -50.08 51.98 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 125.261 1.425 . . . . 6.0 111.692 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -59.25 -35.97 74.66 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 122.234 0.214 . . . . 6.0 111.423 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.62 -51.91 63.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.774 -0.579 . . . . 6.0 109.527 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.0 mtp -53.82 -34.52 59.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.896 1.278 . . . . 6.0 113.143 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.419 HG23 ' HA ' ' B' ' 833' ' ' TYR . 0.3 OUTLIER -63.65 -13.84 46.33 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.09 1.144 . . . . 6.0 114.09 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -124.93 -23.42 4.28 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.179 1.391 . . . . 6.0 113.043 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.92 137.73 57.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.099 1.36 . . . . 6.0 111.226 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -128.5 0.6 5.6 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 6.0 112.888 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.47 59.68 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.188 0.995 . . . . 6.0 112.796 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 47.32 -116.2 2.51 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.294 1.426 . . . . 6.0 112.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.1 -26.77 28.98 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.342 1.457 . . . . 6.0 114.003 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -94.8 1.48 55.41 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.244 1.418 . . . . 6.0 114.466 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.6 t -62.69 165.89 6.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 122.184 0.993 . . . . 6.0 112.257 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -110.19 -9.73 14.67 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.247 1.819 . . . . 6.0 112.767 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 65.6 t -83.99 117.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 107.935 -1.135 . . . . 6.0 107.935 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.42 -38.93 66.84 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.469 2.026 . . . . 6.0 116.469 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -88.1 -26.59 22.43 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.119 1.155 . . . . 6.0 114.119 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.15 -63.23 1.22 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.527 1.931 . . . . 6.0 113.7 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.05 87.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.562 0.578 . . . . 6.0 112.562 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.504 ' HA ' HD22 ' B' ' 798' ' ' LEU . 70.3 m -65.8 -46.25 79.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.395 0.278 . . . . 6.0 111.568 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.3 m -57.34 -45.54 84.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.728 1.211 . . . . 6.0 111.564 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.454 ' HB2' HH11 ' A' ' 412' ' ' ARG . 0.0 OUTLIER -49.85 -36.27 26.28 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.901 1.68 . . . . 6.0 112.9 176.346 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -89.97 -41.12 11.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.943 1.297 . . . . 6.0 112.04 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.51 -40.56 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.02 0.928 . . . . 6.0 112.715 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 46.8 mt -60.3 -48.69 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.522 1.529 . . . . 6.0 110.223 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 m -59.19 -25.03 63.61 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.009 1.485 . . . . 6.0 115.009 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -69.18 -54.39 15.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.986 1.266 . . . . 6.0 111.32 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -59.52 -30.58 68.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.009 0.924 . . . . 6.0 112.61 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.49 -15.76 63.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.035 1.334 . . . . 6.0 114.558 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.16 -24.79 2.06 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.899 2.185 . . . . 6.0 116.899 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.26 103.27 1.91 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 120.221 1.373 . . . . 6.0 113.338 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 38.1 p -87.52 -8.16 56.72 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.056 1.342 . . . . 6.0 113.147 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 74.5 mtm180 -62.1 123.69 18.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.622 1.569 . . . . 6.0 112.99 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.76 -3.57 38.89 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.432 0.53 . . . . 6.0 112.432 173.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -125.79 10.23 7.69 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.318 1.599 . . . . 6.0 115.318 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' CYS . . . . . 0.41 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 23.4 t -58.01 132.92 83.72 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.062 0.945 . . . . 6.0 108.97 174.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.22 -43.31 24.24 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.491 2.127 . . . . 6.0 111.661 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.92 -52.46 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.935 1.294 . . . . 6.0 111.157 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 89.9 m -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.216 1.562 . . . . 6.0 115.216 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -59.12 2.14 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 121.047 1.749 . . . . 6.0 114.228 -175.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.67 -40.03 87.69 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.222 1.948 . . . . 6.0 113.002 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.04 -41.6 81.85 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.492 1.496 . . . . 6.0 112.058 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -65.44 -25.95 67.74 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 6.0 110.634 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -81.18 -43.15 19.74 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.461 1.504 . . . . 6.0 109.976 173.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -59.16 -14.04 9.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.913 2.485 . . . . 6.0 114.249 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 87.8 p -137.51 20.39 2.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.301 1.84 . . . . 6.0 113.367 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.34 131.51 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.7 2.8 . . . . 6.0 115.415 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.03 -25.26 63.55 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.683 1.593 . . . . 6.0 114.73 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 128.54 2.736 . . . . 6.0 114.189 -178.669 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 114.505 0.562 . . . . 6.0 114.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 23.3 m -65.86 -18.74 65.54 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.121 1.368 . . . . 6.0 114.301 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -148.6 -39.26 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.036 1.734 . . . . 6.0 111.64 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 46.0 tpp -149.54 148.85 29.87 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.888 1.675 . . . . 6.0 109.911 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 29.9 m -67.49 152.89 95.79 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 124.502 1.121 . . . . 6.0 112.426 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.51 145.98 83.79 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.392 2.062 . . . . 6.0 110.347 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -147.67 114.51 4.07 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.376 0.67 . . . . 6.0 112.359 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.75 157.07 24.94 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.927 2.418 . . . . 6.0 112.417 175.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.05 111.35 2.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.315 1.046 . . . . 6.0 112.969 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.82 124.01 34.1 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.138 2.175 . . . . 6.0 109.767 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -49.66 124.96 13.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.453 2.768 . . . . 6.0 113.291 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -50.05 -38.09 36.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.083 1.353 . . . . 6.0 114.281 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.22 -26.34 65.66 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.542 1.137 . . . . 6.0 113.04 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.05 -25.92 20.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.656 1.183 . . . . 6.0 112.347 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -56.95 -35.34 69.0 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 119.927 1.24 . . . . 6.0 112.213 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.49 -16.32 62.9 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.9 mt -67.34 138.66 56.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.719 1.145 . . . . 6.0 112.354 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 101.87 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.502 0.721 . . . . 6.0 110.223 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 3.0 p -88.27 -9.66 52.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.959 1.304 . . . . 6.0 114.082 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.8 -46.28 99.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 119.934 1.243 . . . . 6.0 113.913 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -23.2 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 CA-C-N 121.557 1.592 . . . . 6.0 111.167 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.8 mtt -66.28 -17.36 64.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.076 0.95 . . . . 6.0 112.934 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -52.09 -24.73 7.31 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.382 1.253 . . . . 6.0 114.382 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -64.49 -28.92 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.11 0.868 . . . . 6.0 112.318 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -82.89 -12.94 56.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.719 1.607 . . . . 6.0 114.092 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 807' ' ' ARG . . . . . 0.427 ' HB2' HD21 ' A' ' 352' ' ' LEU . 39.0 tpt85 -48.76 -26.16 2.21 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.808 2.151 . . . . 6.0 116.808 -174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -138.42 33.6 2.29 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.8 1.24 . . . . 6.0 111.707 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 6.1 m -132.02 21.57 4.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.217 1.562 . . . . 6.0 115.217 -174.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -145.76 153.1 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.127 0.971 . . . . 6.0 112.467 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -119.77 86.29 2.53 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.147 2.179 . . . . 6.0 107.82 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.97 -37.14 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.275 1.43 . . . . 6.0 112.949 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.0 mt-10 -95.3 -19.9 19.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.481 2.03 . . . . 6.0 116.481 -176.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.62 -21.15 19.57 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.419 1.463 . . . . 6.0 114.736 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -41.89 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.638 1.575 . . . . 6.0 112.43 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 54.4 mmm -66.68 156.91 85.26 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 129.214 3.006 . . . . 6.0 115.921 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.36 -7.97 21.85 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.195 3.263 . . . . 6.0 116.218 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 65.1 t30 48.43 57.28 6.4 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.515 1.526 . . . . 6.0 115.047 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -142.94 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.536 1.396 0 C-N-CA 123.913 0.768 . . . . 6.0 114.746 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -154.52 143.0 14.51 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 118.528 1.164 . . . . 6.0 112.63 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.46 -39.87 0.1 Allowed 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.784 2.323 . . . . 6.0 112.448 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.31 -21.1 64.99 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.839 1.256 . . . . 6.0 112.82 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -16.29 10.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 128.571 2.748 . . . . 6.0 111.368 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -46.26 -38.24 8.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 6.0 113.236 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.31 -15.13 10.08 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.238 1.399 . . . . 6.0 115.875 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -130.61 8.2 4.92 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.993 2.117 . . . . 6.0 112.654 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -130.61 -3.13 4.23 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.489 1.292 . . . . 6.0 114.489 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 34.5 p -101.47 170.5 8.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.923 1.289 . . . . 6.0 113.785 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.81 108.66 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 127.442 2.297 . . . . 6.0 108.922 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -57.43 161.91 3.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 119.01 2.967 . . . . 6.0 119.01 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.0 -44.81 67.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.971 1.708 . . . . 6.0 113.823 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.11 -25.48 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.275 0.63 . . . . 6.0 111.626 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 833' ' ' TYR . . . . . 0.419 ' HA ' HG23 ' A' ' 395' ' ' THR . 0.7 OUTLIER -71.1 -38.66 72.36 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 6.0 112.205 178.691 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.6 18.98 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.541 1.537 . . . . 6.0 112.588 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 87.9 p 27.1 -75.18 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 131.044 3.738 . . . . 6.0 118.037 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.58 125.76 18.71 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 127.33 2.252 . . . . 6.0 109.982 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.05 -10.86 19.64 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.253 2.636 . . . . 6.0 113.519 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 127.007 2.123 . . . . 6.0 113.906 -178.701 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 113.552 0.945 . . . . 6.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 46.0 p -68.81 -19.71 64.29 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.122 1.369 . . . . 6.0 114.038 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 175.06 -174.74 46.92 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.865 1.698 . . . . 6.0 112.221 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.89 -26.06 78.71 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.203 2.602 . . . . 6.0 112.821 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 25.2 p -68.65 -5.52 20.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.968 1.707 . . . . 6.0 113.564 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.32 24.73 1.93 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.193 1.797 . . . . 6.0 112.064 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.1 110.56 2.27 Favored Pre-proline 0 CA--C 1.554 1.122 0 O-C-N 121.257 -0.902 . . . . 6.0 111.581 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.61 -42.26 63.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.0 3.133 . . . . 6.0 114.874 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.76 -45.94 73.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.755 0.822 . . . . 6.0 111.576 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -61.08 -47.35 86.71 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.666 -0.646 . . . . 6.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.42 -42.83 64.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.079 1.352 . . . . 6.0 110.961 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -62.29 -44.97 95.29 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.878 0.871 . . . . 6.0 111.483 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.01 -50.43 73.43 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.878 1.436 . . . . 6.0 114.878 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 120.413 1.461 . . . . 6.0 111.13 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.04 -44.88 79.23 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.435 1.016 . . . . 6.0 111.666 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -65.36 -48.26 73.57 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.624 1.17 . . . . 6.0 112.479 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.181 1.355 . . . . 6.0 110.759 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.34 -56.54 19.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.498 0.719 . . . . 6.0 110.348 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.12 -39.2 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 113.276 0.843 . . . . 6.0 113.276 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.483 HD21 HD12 ' A' ' 381' ' ' LEU . 13.1 mt -60.48 -40.15 90.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.98 0.809 . . . . 6.0 111.521 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.33 -44.85 86.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.89 0.768 . . . . 6.0 110.371 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 61.5 mt -57.75 -37.88 74.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.744 0.818 . . . . 6.0 111.957 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -68.04 -57.44 6.13 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.924 0.489 . . . . 6.0 109.738 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.82 -37.95 64.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.355 1.613 . . . . 6.0 115.355 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -58.23 -59.5 5.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.467 1.031 . . . . 6.0 111.064 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.95 -31.83 71.85 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.766 -0.584 . . . . 6.0 111.805 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.8 -36.46 83.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 119.237 0.926 . . . . 6.0 110.955 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.68 -15.59 63.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.167 -1.583 . . . . 6.0 112.226 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.11 -38.65 13.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.049 1.74 . . . . 6.0 110.279 172.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -53.39 -46.03 69.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.529 1.932 . . . . 6.0 110.881 173.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -58.1 -47.98 81.58 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.216 1.006 . . . . 6.0 112.048 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -68.42 -41.23 80.69 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.0 0.92 . . . . 6.0 112.519 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.68 90.12 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.634 1.174 . . . . 6.0 112.613 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -72.18 -24.85 61.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.455 0.702 . . . . 6.0 112.852 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 67.34 11.66 59.67 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.1 1.333 . . . . 6.0 114.783 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -156.91 141.71 16.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.3 2.24 . . . . 6.0 108.526 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 18.5 t -144.39 139.85 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.617 0.767 . . . . 6.0 111.591 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.27 -38.38 0.55 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.488 1.515 . . . . 6.0 112.624 174.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -159.49 -178.39 7.09 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.48 1.289 . . . . 6.0 114.48 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.3 t -142.39 -163.76 1.67 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 128.933 2.893 . . . . 6.0 108.716 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 98.6 p -132.21 -2.35 3.55 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.569 1.547 . . . . 6.0 114.496 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.65 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER -100.32 123.56 46.12 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.154 0.982 . . . . 6.0 112.535 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.65 ' HD2' HD13 ' A' ' 381' ' ' LEU . 47.1 Cg_exo -44.3 -31.88 4.72 Favored 'Trans proline' 0 C--N 1.356 0.923 1 C-N-CA 126.077 4.518 . . . . 6.0 118.046 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -130.36 23.02 5.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.726 1.21 . . . . 6.0 113.846 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.99 -48.09 70.74 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.426 -0.796 . . . . 6.0 111.248 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -34.33 74.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.33 1.052 . . . . 6.0 112.755 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 50.9 m -64.42 -50.16 68.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.395 1.078 . . . . 6.0 109.036 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -63.47 -44.97 92.88 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.513 1.125 . . . . 6.0 112.402 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -57.97 -44.28 86.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.537 1.135 . . . . 6.0 111.372 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.75 -39.97 88.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.249 0.62 . . . . 6.0 111.987 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.63 -45.12 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.256 1.022 . . . . 6.0 110.709 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.07 -45.8 87.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.957 1.303 . . . . 6.0 111.616 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.19 -43.79 92.2 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.862 -0.524 . . . . 6.0 110.834 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -60.01 -53.29 59.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.647 0.779 . . . . 6.0 110.51 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.1 mtp -51.8 -36.21 46.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.13 1.772 . . . . 6.0 113.213 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 29.2 m -66.76 -16.82 64.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.578 1.151 . . . . 6.0 113.288 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -122.08 -16.76 7.42 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.975 1.31 . . . . 6.0 113.829 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 39.5 t -62.97 143.06 58.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.783 1.633 . . . . 6.0 112.113 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -139.32 12.53 2.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.509 1.524 . . . . 6.0 112.584 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.71 -4.43 43.26 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.734 1.383 . . . . 6.0 114.734 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.35 -135.6 49.86 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.111 -0.993 . . . . 6.0 113.04 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -72.85 -11.28 60.53 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.521 1.128 . . . . 6.0 113.871 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -96.22 7.68 45.81 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.404 1.482 . . . . 6.0 114.067 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 42.7 t -54.15 139.2 36.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.193 1.397 . . . . 6.0 113.831 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.43 -20.95 58.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 6.0 112.717 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 93.0 t -87.68 104.07 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.069 0.938 . . . . 6.0 108.848 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.31 41.48 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.849 1.426 . . . . 6.0 114.849 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -83.93 -19.18 35.14 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.215 1.191 . . . . 6.0 114.215 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 28.4 t -67.11 -65.79 0.64 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.344 1.429 . . . . 6.0 112.126 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.18 -34.15 70.02 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.375 0.88 . . . . 6.0 113.375 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 17.9 p -68.85 -52.48 29.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.313 0.506 . . . . 6.0 111.014 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.6 m -53.49 -45.87 69.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.468 1.107 . . . . 6.0 112.564 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -52.86 -36.25 58.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.805 1.242 . . . . 6.0 112.837 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -85.06 -42.6 14.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.131 0.972 . . . . 6.0 112.253 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.01 -41.42 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.75 1.22 . . . . 6.0 113.653 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.91 -47.64 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.622 1.569 . . . . 6.0 110.335 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.4 m -58.07 -23.42 54.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.5 1.667 . . . . 6.0 115.5 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -69.3 -54.88 12.35 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.457 1.48 . . . . 6.0 111.209 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -61.72 -28.82 69.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.695 0.798 . . . . 6.0 112.729 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.31 -11.51 60.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.332 1.234 . . . . 6.0 114.332 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -130.06 -32.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.701 1.741 . . . . 6.0 115.701 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.9 t -69.56 148.44 49.42 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.638 1.108 . . . . 6.0 113.063 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -140.22 -14.26 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.73 1.612 . . . . 6.0 114.455 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -61.59 119.62 9.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.664 1.186 . . . . 6.0 112.241 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -61.68 -9.92 7.38 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.154 2.279 . . . . 6.0 117.154 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -126.94 16.25 7.36 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.761 1.164 . . . . 6.0 113.667 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.2 t -52.52 125.97 37.67 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 125.573 1.549 . . . . 6.0 110.504 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -52.69 -22.43 17.29 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.681 3.587 . . . . 6.0 116.48 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 30.2 t -114.65 -39.17 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.611 1.164 . . . . 6.0 111.102 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.62 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 95.6 m -72.66 -26.87 61.79 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.256 -1.528 . . . . 6.0 113.622 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 430' ' ' LEU . 2.7 tm? -39.88 -58.25 2.26 Favored Pre-proline 0 N--CA 1.474 0.774 0 CA-C-N 120.541 1.518 . . . . 6.0 114.342 -175.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.64 -32.98 97.9 Favored 'Trans proline' 0 C--N 1.35 0.638 0 CA-C-N 121.717 1.649 . . . . 6.0 113.173 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.7 -45.44 52.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.485 1.493 . . . . 6.0 110.842 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.62 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.0 mttt -59.91 -27.27 66.6 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.364 1.465 . . . . 6.0 110.695 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -84.01 -43.38 15.21 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.583 1.953 . . . . 6.0 110.751 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -55.77 -28.99 58.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.542 1.937 . . . . 6.0 112.409 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.1 p -111.28 9.48 21.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.945 2.098 . . . . 6.0 114.489 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -63.86 164.45 10.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.795 0.838 . . . . 6.0 111.393 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -72.58 44.95 0.13 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.891 2.077 . . . . 6.0 113.333 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 127.714 2.406 . . . . 6.0 112.797 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 114.7 0.64 . . . . 6.0 114.7 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 94.7 p -139.18 -7.24 1.37 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.746 1.618 . . . . 6.0 114.757 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -156.51 168.91 25.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.807 1.643 . . . . 6.0 111.789 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 13.0 tpt -150.84 152.26 33.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.552 1.541 . . . . 6.0 110.721 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 30.5 m -63.59 147.64 95.26 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 124.05 0.94 . . . . 6.0 112.462 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.19 166.95 27.92 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.958 2.439 . . . . 6.0 112.864 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.22 129.08 91.92 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.823 1.649 . . . . 6.0 111.373 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.44 155.94 23.68 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.637 2.891 . . . . 6.0 111.093 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.67 103.46 2.13 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.793 -1.192 . . . . 6.0 113.822 -178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 tt -33.95 130.55 0.41 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 130.029 3.331 . . . . 6.0 111.925 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -54.27 126.99 24.0 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.538 2.159 . . . . 6.0 113.297 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -47.01 -41.85 17.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.349 1.86 . . . . 6.0 115.016 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.67 -27.76 67.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.075 0.95 . . . . 6.0 113.205 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 35.0 mt -90.02 -22.88 21.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.658 1.183 . . . . 6.0 113.132 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -55.39 -38.5 68.95 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 120.376 1.444 . . . . 6.0 111.985 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.17 -12.41 61.47 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.114 1.765 . . . . 6.0 114.672 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.9 mt -71.39 133.91 46.28 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.422 1.01 . . . . 6.0 111.294 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -73.25 107.49 5.6 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.8 p -88.92 -10.39 47.99 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.17 1.388 . . . . 6.0 114.397 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.93 -44.88 99.72 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 120.37 1.441 . . . . 6.0 113.467 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -62.01 -35.06 78.79 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.487 2.125 . . . . 6.0 112.072 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.4 mtt -63.87 -17.25 62.98 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.548 1.139 . . . . 6.0 113.521 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.46 -22.62 8.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.048 1.129 . . . . 6.0 114.048 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.18 -29.82 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.193 0.906 . . . . 6.0 112.028 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -85.46 -11.72 53.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.192 1.797 . . . . 6.0 114.42 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -49.81 -25.98 3.55 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 117.398 2.37 . . . . 6.0 117.398 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -136.42 32.35 2.82 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.428 1.491 . . . . 6.0 111.399 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.4 m -129.91 18.73 5.58 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.242 1.571 . . . . 6.0 115.242 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -144.82 146.05 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.023 0.929 . . . . 6.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -115.95 86.83 2.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.977 1.711 . . . . 6.0 107.13 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 812' ' ' ILE . 1.5 mt -45.23 -38.84 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.854 1.662 . . . . 6.0 112.819 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.2 mt-10 -86.03 -19.97 29.52 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.259 1.948 . . . . 6.0 116.259 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -95.69 -21.59 18.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.673 1.36 . . . . 6.0 114.673 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -38.7 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.696 1.198 . . . . 6.0 110.856 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 10.3 tpp -69.94 142.21 90.39 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.147 1.779 . . . . 6.0 112.803 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.71 2.02 5.1 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 123.487 2.791 . . . . 6.0 115.075 178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.78 31.0 2.86 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 128.584 2.754 . . . . 6.0 118.134 178.199 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -99.53 -46.18 2.01 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.835 0.731 . . . . 6.0 113.925 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -158.53 156.11 26.64 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.251 1.82 . . . . 6.0 111.492 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -86.4 -27.07 0.9 Allowed 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 123.118 2.546 . . . . 6.0 111.432 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 -18.1 47.83 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.41 1.884 . . . . 6.0 111.946 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.283 3.5 tm? -44.5 -26.35 0.35 Allowed 'General case' 0 CA--C 1.537 0.465 1 C-N-CA 132.606 4.362 . . . . 6.0 112.574 171.062 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -49.15 -36.14 18.51 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.148 1.379 . . . . 6.0 112.086 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -61.36 -9.35 16.38 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.465 1.507 . . . . 6.0 115.338 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -134.45 15.45 3.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.825 2.45 . . . . 6.0 112.133 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -135.56 -29.19 1.07 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.367 0.877 . . . . 6.0 113.367 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 71.5 p -82.11 -176.49 6.18 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.263 1.025 . . . . 6.0 111.625 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 12.5 m -135.23 149.47 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 124.488 1.115 . . . . 6.0 112.668 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -146.32 -104.39 0.1 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.858 1.263 . . . . 6.0 109.826 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.83 -20.73 16.4 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.375 -1.453 . . . . 6.0 114.297 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.46 -6.53 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.667 1.587 . . . . 6.0 114.324 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.07 -24.56 1.1 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.648 1.722 . . . . 6.0 115.648 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.18 152.45 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.879 1.218 . . . . 6.0 111.922 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 61.2 p -60.66 -30.15 69.72 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 115.666 1.728 . . . . 6.0 115.666 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -138.53 80.2 27.39 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.022 1.729 . . . . 6.0 111.049 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.88 -26.77 50.16 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 124.559 3.506 . . . . 6.0 115.707 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 125.63 1.572 . . . . 6.0 112.672 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 11.1 t -154.17 169.13 24.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.903 1.681 . . . . 6.0 111.587 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 177.19 178.48 46.92 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.904 1.24 . . . . 6.0 113.61 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.11 -8.41 23.52 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.107 3.205 . . . . 6.0 114.208 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.9 p -67.39 -16.56 64.31 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.972 1.709 . . . . 6.0 113.843 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -121.93 130.13 53.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.833 2.053 . . . . 6.0 111.273 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -149.77 97.38 3.47 Favored Pre-proline 0 N--CA 1.475 0.777 0 C-N-CA 124.923 1.289 . . . . 6.0 109.428 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.21 -43.08 38.39 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 124.678 3.585 . . . . 6.0 116.224 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.94 -48.65 43.81 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.858 -0.526 . . . . 6.0 112.223 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.668 -0.645 . . . . 6.0 110.008 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -46.42 54.98 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.722 1.609 . . . . 6.0 111.615 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -72.0 -33.35 68.03 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.18 1.355 . . . . 6.0 113.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.44 -49.1 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.895 1.68 . . . . 6.0 113.016 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.98 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 119.901 1.228 . . . . 6.0 111.166 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -54.06 -48.69 70.34 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.31 1.414 . . . . 6.0 112.003 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.41 -46.92 78.1 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.609 1.564 . . . . 6.0 112.043 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.11 -43.92 97.1 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.713 1.142 . . . . 6.0 110.948 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.22 -56.17 22.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.422 0.689 . . . . 6.0 110.077 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.83 -38.51 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 113.491 0.923 . . . . 6.0 113.491 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.98 -38.5 82.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.055 0.843 . . . . 6.0 111.514 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.11 -43.97 90.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 6.0 110.371 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.39 -46.93 76.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.276 0.631 . . . . 6.0 111.106 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.05 -61.42 2.58 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.161 0.584 . . . . 6.0 110.286 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.81 61.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.354 1.462 . . . . 6.0 114.468 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -60.31 -54.12 49.48 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.415 1.007 . . . . 6.0 111.718 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -64.34 -37.5 87.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.499 -0.75 . . . . 6.0 111.574 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.14 -37.87 86.83 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.675 0.79 . . . . 6.0 110.93 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -62.88 -40.92 99.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.395 1.078 . . . . 6.0 109.668 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -58.67 -40.97 85.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.69 0.796 . . . . 6.0 111.286 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -56.4 -45.98 80.39 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.066 0.848 . . . . 6.0 111.539 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.83 -48.84 51.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.041 0.937 . . . . 6.0 111.614 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -59.89 -30.62 69.13 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.778 1.029 . . . . 6.0 113.778 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -67.75 -13.1 61.83 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.812 1.412 . . . . 6.0 114.812 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -144.26 -18.57 0.56 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.682 1.734 . . . . 6.0 115.682 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.94 22.69 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.266 1.889 . . . . 6.0 112.443 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -156.31 149.39 24.22 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.99 2.516 . . . . 6.0 108.209 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 378' ' ' ALA . 1.7 p -149.03 175.6 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.245 -0.91 . . . . 6.0 111.969 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 377' ' ' ARG . . . . . 0.452 ' H ' HG22 ' A' ' 376' ' ' VAL . 11.7 mpt_? -61.04 -6.6 1.99 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.286 1.834 . . . . 6.0 115.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 378' ' ' ALA . . . . . 0.566 ' H ' HG13 ' A' ' 376' ' ' VAL . . . 54.94 -159.4 0.18 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.716 2.006 . . . . 6.0 114.145 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.9 p -157.84 -168.97 2.68 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.809 2.444 . . . . 6.0 110.529 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 80.2 p -132.47 9.21 4.32 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.451 1.5 . . . . 6.0 114.426 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -60.35 115.45 13.47 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 125.209 1.404 . . . . 6.0 110.5 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 381' ' ' LEU . 1.4 Cg_exo -35.36 -35.11 0.12 Allowed 'Trans proline' 0 CA--C 1.541 0.825 1 C-N-CA 126.625 4.884 . . . . 6.0 121.52 -176.009 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.73 19.97 6.62 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.01 1.485 . . . . 6.0 115.01 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 13.0 t -52.36 -51.8 56.89 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.172 0.989 . . . . 6.0 111.335 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.55 -35.34 77.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.699 1.2 . . . . 6.0 113.057 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.9 m -63.51 -49.41 73.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.226 1.01 . . . . 6.0 109.455 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.1 mmt -66.33 -46.06 78.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.623 1.169 . . . . 6.0 112.25 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -54.53 -44.97 73.26 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.091 1.314 . . . . 6.0 111.51 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.77 -44.24 97.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.719 0.808 . . . . 6.0 112.198 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -36.87 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.178 0.991 . . . . 6.0 111.736 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.38 -49.3 56.64 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 124.794 1.237 . . . . 6.0 111.434 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.08 -32.83 72.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 111.819 0.303 . . . . 6.0 111.819 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -65.88 -50.95 62.67 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.482 -0.761 . . . . 6.0 109.375 173.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 67.1 mtp -52.85 -33.57 50.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.871 1.269 . . . . 6.0 112.801 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -11.72 46.07 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.686 1.365 . . . . 6.0 114.686 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -127.04 -13.82 5.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.852 1.261 . . . . 6.0 113.497 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.46 147.96 51.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.691 1.196 . . . . 6.0 112.658 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -138.95 18.1 2.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.646 1.978 . . . . 6.0 112.03 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -87.93 -3.41 58.92 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.705 -1.247 . . . . 6.0 113.783 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.18 -93.08 0.01 OUTLIER Glycine 0 CA--C 1.535 1.324 0 C-N-CA 126.919 2.2 . . . . 6.0 115.404 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -114.44 6.07 15.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.065 1.746 . . . . 6.0 113.918 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -119.4 14.42 12.86 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.946 1.698 . . . . 6.0 112.808 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.5 t -59.18 146.31 39.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.804 1.242 . . . . 6.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -83.87 -15.53 47.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.975 1.31 . . . . 6.0 112.338 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 74.2 t -86.41 106.72 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.001 -1.481 . . . . 6.0 107.001 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.38 -34.69 11.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.227 1.936 . . . . 6.0 116.227 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.01 -24.25 21.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.656 1.354 . . . . 6.0 114.656 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 23.2 t -58.48 -67.37 0.36 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.321 1.449 . . . . 6.0 113.328 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.41 67.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.724 0.639 . . . . 6.0 112.724 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.574 ' HA ' HD22 ' B' ' 798' ' ' LEU . 63.0 m -67.13 -48.08 69.17 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.178 -0.327 . . . . 6.0 111.682 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -59.66 -47.07 87.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.601 1.16 . . . . 6.0 111.904 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -50.14 -37.88 36.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.295 1.838 . . . . 6.0 112.413 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -83.36 -43.26 16.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.415 1.086 . . . . 6.0 112.377 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.75 -39.11 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 120.962 -1.086 . . . . 6.0 113.515 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.355 1.462 . . . . 6.0 110.768 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.4 m -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.524 1.305 . . . . 6.0 114.524 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -68.1 -59.86 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.261 0.937 . . . . 6.0 110.898 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -57.72 -33.95 68.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.75 1.22 . . . . 6.0 113.31 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -63.0 -13.48 35.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.776 1.231 . . . . 6.0 114.052 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -133.92 -30.85 1.19 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.377 1.992 . . . . 6.0 116.377 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.42 136.98 57.98 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.855 1.207 . . . . 6.0 114.02 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 14.4 t -138.49 10.21 2.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.908 1.683 . . . . 6.0 113.18 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -67.29 118.89 11.28 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.262 1.425 . . . . 6.0 110.16 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -63.88 -8.94 12.54 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.006 1.854 . . . . 6.0 116.006 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -129.75 19.75 5.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.309 1.444 . . . . 6.0 113.067 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 52.7 t -54.24 124.31 46.0 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.411 -0.959 . . . . 6.0 108.411 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.78 -28.07 59.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.007 1.805 . . . . 6.0 112.327 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.97 -46.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 117.897 -1.049 . . . . 6.0 110.711 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 85.4 m -74.08 -29.6 61.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 121.072 1.76 . . . . 6.0 114.922 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.1 tp -40.87 -53.37 6.11 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-N 122.179 2.263 . . . . 6.0 115.318 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -59.44 -35.51 96.02 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-N 121.813 1.683 . . . . 6.0 112.879 176.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.39 -42.01 62.66 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.082 1.31 . . . . 6.0 111.861 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.219 -1.03 . . . . 6.0 108.219 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -65.82 -45.39 82.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.882 1.273 . . . . 6.0 111.666 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.9 -19.14 4.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.537 1.935 . . . . 6.0 113.127 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.2 OUTLIER -131.62 32.67 4.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.949 1.299 . . . . 6.0 113.865 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.29 -25.72 0.78 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.681 1.592 . . . . 6.0 112.32 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.16 -25.1 63.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.857 1.263 . . . . 6.0 113.93 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 126.841 2.056 . . . . 6.0 111.427 177.546 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 N-CA-C 114.796 0.678 . . . . 6.0 114.796 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 69.7 p -69.15 -15.96 63.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.358 1.463 . . . . 6.0 114.485 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -150.67 160.79 43.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.849 1.659 . . . . 6.0 111.079 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 96.9 mmm -76.43 52.93 0.81 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.292 1.837 . . . . 6.0 112.426 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.5 146.56 63.8 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 125.246 1.418 . . . . 6.0 113.24 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -76.05 177.34 8.87 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.492 2.794 . . . . 6.0 112.49 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.3 72.63 72.18 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.38 1.872 . . . . 6.0 112.876 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -51.98 159.21 4.05 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 123.545 2.83 . . . . 6.0 112.232 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.38 107.43 0.57 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.445 1.498 . . . . 6.0 113.615 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.69 122.77 35.0 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.468 1.907 . . . . 6.0 110.813 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -51.52 124.06 13.5 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.475 2.783 . . . . 6.0 113.041 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -50.85 -37.39 42.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.588 1.329 . . . . 6.0 114.588 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.37 -26.84 66.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.781 0.833 . . . . 6.0 112.679 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.07 -28.04 19.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.809 1.243 . . . . 6.0 112.703 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -55.15 -38.28 68.05 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.855 1.207 . . . . 6.0 112.147 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.83 -11.38 60.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.061 1.344 . . . . 6.0 114.402 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.0 mt -69.52 139.97 53.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.786 1.176 . . . . 6.0 112.096 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -74.23 101.22 3.93 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.769 0.827 . . . . 6.0 109.973 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.1 p -86.95 -9.56 55.34 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.92 1.288 . . . . 6.0 113.891 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.24 -45.76 99.21 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.986 1.266 . . . . 6.0 114.219 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.22 -23.82 20.63 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 CA-C-N 121.835 1.691 . . . . 6.0 110.941 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 28.6 mtt -66.25 -16.87 64.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.225 1.01 . . . . 6.0 112.957 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.93 -22.05 3.55 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -70.01 -27.64 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.047 0.84 . . . . 6.0 112.517 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.33 -12.6 54.3 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.898 1.679 . . . . 6.0 113.987 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -47.22 -22.1 0.35 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 117.85 2.537 . . . . 6.0 117.85 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.41 32.84 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.044 1.737 . . . . 6.0 111.832 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.4 m -129.06 20.32 5.88 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.0 t -143.62 152.91 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.949 0.9 . . . . 6.0 112.642 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -119.55 84.01 2.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.031 2.132 . . . . 6.0 108.372 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.55 -40.83 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.896 1.678 . . . . 6.0 112.962 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.0 mt-10 -88.01 -19.91 26.54 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.536 1.68 . . . . 6.0 115.536 -178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -96.57 -25.09 15.74 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.746 1.387 . . . . 6.0 114.746 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -44.13 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.944 1.297 . . . . 6.0 111.518 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 26.4 tpp -59.44 143.26 86.04 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.798 2.039 . . . . 6.0 114.297 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -66.26 -8.97 22.05 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.393 2.729 . . . . 6.0 114.04 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 30.7 t-20 52.06 85.02 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.031 2.932 . . . . 6.0 116.818 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -161.66 -43.45 0.02 OUTLIER Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.013 0.765 . . . . 6.0 115.013 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -156.65 139.33 10.62 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.661 1.585 . . . . 6.0 111.044 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -83.58 -39.75 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 122.404 2.069 . . . . 6.0 112.891 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.28 -19.09 64.27 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.922 1.289 . . . . 6.0 113.218 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.268 0.0 OUTLIER -57.26 -15.41 5.98 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.757 2.823 . . . . 6.0 111.462 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -48.19 -28.45 3.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.073 1.749 . . . . 6.0 113.998 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -43.5 -39.42 4.44 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.859 1.695 . . . . 6.0 115.095 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -131.07 -10.75 3.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.76 1.224 . . . . 6.0 114.157 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -71.23 -15.53 62.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.173 1.175 . . . . 6.0 114.173 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.5 t -148.7 172.33 14.76 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.366 1.067 . . . . 6.0 112.943 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 2.4 t -20.78 104.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 130.825 3.65 . . . . 6.0 113.391 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -85.72 171.47 11.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 117.765 2.506 . . . . 6.0 117.765 -170.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -53.02 -41.36 64.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.626 1.971 . . . . 6.0 111.976 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 31.5 m -77.33 -0.86 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.108 1.763 . . . . 6.0 113.095 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.08 -41.63 5.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.041 2.137 . . . . 6.0 112.409 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 4.8 m -79.86 57.13 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.967 1.307 . . . . 6.0 110.17 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 28.8 m -54.89 144.35 23.12 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.13 1.372 . . . . 6.0 112.672 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.22 172.06 5.79 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.395 1.878 . . . . 6.0 110.569 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.49 161.57 45.03 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.155 1.904 . . . . 6.0 112.978 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 125.013 1.325 . . . . 6.0 112.348 179.534 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 113.626 0.972 . . . . 6.0 113.626 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.2 t -145.82 -25.13 0.46 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.462 1.505 . . . . 6.0 113.658 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -164.61 54.37 0.27 Allowed Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.82 1.2 . . . . 6.0 113.773 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -65.02 -14.57 45.99 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.571 2.847 . . . . 6.0 114.466 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.8 p -73.64 -18.44 61.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.144 1.378 . . . . 6.0 113.584 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -75.03 146.43 41.58 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.05 1.34 . . . . 6.0 113.371 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -156.75 104.49 1.96 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.287 1.435 . . . . 6.0 109.078 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.79 -38.89 85.55 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.904 3.069 . . . . 6.0 115.302 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.21 -45.39 60.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.287 -0.883 . . . . 6.0 111.591 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -62.91 -45.75 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.743 -0.598 . . . . 6.0 109.932 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -50.29 -49.35 53.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.57 1.548 . . . . 6.0 110.859 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -57.54 -31.68 66.34 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.306 1.043 . . . . 6.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.57 -51.2 15.24 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.969 -1.015 . . . . 6.0 112.51 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.46 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.647 1.112 . . . . 6.0 110.539 174.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -55.8 -49.99 71.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.83 1.196 . . . . 6.0 112.095 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.3 -40.9 70.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 117.809 -1.091 . . . . 6.0 113.163 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -62.51 -43.28 99.19 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.532 1.514 . . . . 6.0 110.33 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.47 -57.63 11.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.759 0.824 . . . . 6.0 110.353 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 30.4 t -58.27 -40.02 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.469 0.914 . . . . 6.0 113.469 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 381' ' ' LEU . 11.4 mt -58.83 -36.82 75.16 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.736 0.698 . . . . 6.0 112.14 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.09 -43.77 73.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.774 0.715 . . . . 6.0 110.494 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.86 -41.54 70.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.073 0.549 . . . . 6.0 110.869 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.38 -59.53 2.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.158 0.583 . . . . 6.0 111.092 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.11 -37.95 49.01 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.5 1.296 . . . . 6.0 114.5 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -59.81 -59.04 6.07 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.116 0.871 . . . . 6.0 111.468 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -65.1 -30.36 71.29 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.54 -0.725 . . . . 6.0 112.678 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 366' ' ' CYS . . . . . 0.426 ' SG ' ' NH1' ' A' ' 369' ' ' ARG . 8.7 t -64.67 -43.8 92.4 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.971 0.908 . . . . 6.0 110.571 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.6 -31.71 71.79 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.886 -1.134 . . . . 6.0 110.795 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -71.87 -44.93 62.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.835 -1.166 . . . . 6.0 111.413 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.426 ' NH1' ' SG ' ' A' ' 366' ' ' CYS . 13.7 ptt-85 -64.27 -31.18 72.28 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.917 1.235 . . . . 6.0 112.744 177.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -53.84 -32.83 54.27 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.158 1.383 . . . . 6.0 112.157 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.0 -23.84 55.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -67.03 -15.41 63.71 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.016 0.926 . . . . 6.0 113.391 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -128.76 9.45 5.9 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.624 1.97 . . . . 6.0 112.102 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 77.0 -61.17 3.42 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.289 1.899 . . . . 6.0 113.169 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -147.69 128.14 14.03 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.904 1.682 . . . . 6.0 110.859 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 5.0 p -164.27 129.93 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.605 1.562 . . . . 6.0 110.806 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -125.68 17.85 8.06 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.598 1.559 . . . . 6.0 112.151 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -64.59 -59.87 3.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.759 1.224 . . . . 6.0 111.704 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.1 t 36.33 -146.8 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 128.275 2.63 . . . . 6.0 114.913 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.6 m -142.41 -19.84 0.69 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.302 2.241 . . . . 6.0 113.344 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER -79.22 125.12 83.96 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 119.473 1.033 . . . . 6.0 112.413 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.4 Cg_exo -45.43 -30.17 5.48 Favored 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 125.861 4.374 . . . . 6.0 117.682 177.8 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.74 20.91 6.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.239 1.416 . . . . 6.0 113.727 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.35 -49.35 69.96 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.335 -0.853 . . . . 6.0 111.185 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -35.32 80.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.041 0.936 . . . . 6.0 112.76 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -60.49 -50.96 71.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.667 1.187 . . . . 6.0 109.087 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.48 80.96 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.391 1.076 . . . . 6.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -56.4 -41.79 76.89 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.814 1.188 . . . . 6.0 111.926 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -63.74 -43.97 94.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.363 0.665 . . . . 6.0 111.514 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.91 -41.38 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.153 0.981 . . . . 6.0 111.217 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.7 -46.95 77.08 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.918 1.687 . . . . 6.0 112.416 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.64 -44.41 97.02 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.977 -0.452 . . . . 6.0 110.134 174.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -56.18 -54.48 44.75 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.451 0.569 . . . . 6.0 110.121 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 58.8 mtp -49.94 -37.37 31.65 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.437 1.895 . . . . 6.0 113.391 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 26.8 m -71.45 -26.65 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.354 1.062 . . . . 6.0 113.309 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -100.65 -19.38 16.11 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.558 1.143 . . . . 6.0 112.448 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.71 162.27 13.57 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.022 2.129 . . . . 6.0 111.677 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -143.43 0.84 1.17 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.401 1.88 . . . . 6.0 113.691 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.86 0.99 37.03 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.04 -140.53 38.79 Favored Glycine 0 CA--C 1.537 1.422 0 O-C-N 121.065 -1.022 . . . . 6.0 114.21 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -73.24 16.01 0.2 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.284 1.434 . . . . 6.0 114.531 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -134.0 14.76 3.91 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.04 1.496 . . . . 6.0 115.04 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.9 t -57.05 151.75 14.52 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.599 1.159 . . . . 6.0 114.029 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -72.11 -24.38 61.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.37 1.468 . . . . 6.0 112.398 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 77.0 t -78.69 113.62 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.426 -0.953 . . . . 6.0 108.426 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.27 48.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -84.18 -19.78 33.48 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.892 1.071 . . . . 6.0 113.892 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 21.7 t -66.6 -66.61 0.53 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.103 1.32 . . . . 6.0 111.529 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.7 -36.2 64.43 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.42 0.896 . . . . 6.0 113.42 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 18.7 p -70.14 -52.88 20.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.827 0.285 . . . . 6.0 111.339 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 75.3 m -53.14 -44.43 67.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.505 1.122 . . . . 6.0 112.342 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -52.79 -37.71 60.12 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.928 1.691 . . . . 6.0 112.579 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -84.12 -42.7 15.77 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.516 1.526 . . . . 6.0 112.35 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.24 -40.85 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.528 1.131 . . . . 6.0 113.289 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' B' ' 829' ' ' VAL . 69.8 mt -61.46 -45.35 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.606 1.562 . . . . 6.0 110.11 177.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.1 m -58.45 -26.93 63.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.407 1.262 . . . . 6.0 114.407 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -69.26 -55.77 9.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.678 1.126 . . . . 6.0 110.798 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.0 t-105 -59.61 -31.84 69.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.605 1.162 . . . . 6.0 112.56 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -64.39 -14.16 55.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.478 1.511 . . . . 6.0 114.368 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -132.62 -29.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.291 1.96 . . . . 6.0 116.291 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 15.0 t -66.95 143.49 56.78 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.912 1.233 . . . . 6.0 113.638 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.4 p -136.98 -6.68 1.85 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.368 1.867 . . . . 6.0 113.418 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.67 117.24 6.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.904 1.682 . . . . 6.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -66.52 -8.91 29.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.543 1.683 . . . . 6.0 115.543 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -125.41 15.09 8.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.88 1.272 . . . . 6.0 113.475 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.61 126.48 70.63 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 106.887 -1.523 . . . . 6.0 106.887 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.03 -36.4 38.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.063 1.842 . . . . 6.0 112.698 -173.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 85.8 t -80.74 -47.73 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 118.414 -0.803 . . . . 6.0 110.446 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.519 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 97.6 m -70.78 -29.7 65.98 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.0 tp -42.3 -53.81 8.47 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 121.053 1.751 . . . . 6.0 114.97 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.41 -34.91 97.44 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 CA-C-N 122.172 1.811 . . . . 6.0 113.159 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.38 -41.94 65.77 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.482 1.492 . . . . 6.0 111.574 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.519 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.5 mttt -61.59 -40.89 96.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.714 1.206 . . . . 6.0 108.461 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.24 -41.4 81.22 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.516 1.126 . . . . 6.0 111.425 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -57.59 -24.87 58.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.218 1.807 . . . . 6.0 113.358 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 40.7 p -112.75 -24.5 9.57 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.338 1.607 . . . . 6.0 115.338 -176.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.04 -7.61 30.74 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.742 1.217 . . . . 6.0 113.776 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -53.85 -26.6 25.33 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.954 1.702 . . . . 6.0 114.79 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 125.48 1.512 . . . . 6.0 112.202 179.165 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.784 0.674 . . . . 6.0 114.784 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 67.0 p -69.08 -16.24 63.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.411 1.484 . . . . 6.0 114.595 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -151.8 159.67 43.83 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.777 1.631 . . . . 6.0 111.278 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 55.2 ttp -150.91 142.82 23.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.836 1.654 . . . . 6.0 109.874 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 29.9 m -62.31 140.33 96.37 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.253 0.621 . . . . 6.0 112.095 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.3 99.72 1.29 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.192 2.594 . . . . 6.0 111.049 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -145.97 108.34 4.31 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 6.0 111.925 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 158.89 11.7 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.195 2.597 . . . . 6.0 113.481 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.46 109.12 1.08 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.687 1.995 . . . . 6.0 114.177 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.45 123.46 43.62 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.397 1.479 . . . . 6.0 110.775 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.11 121.39 9.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.045 2.497 . . . . 6.0 111.801 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.57 -33.67 64.08 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.37 -27.43 69.31 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.615 -0.678 . . . . 6.0 112.178 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.11 -26.91 19.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.732 1.213 . . . . 6.0 111.702 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -58.82 -35.37 72.76 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.245 1.384 . . . . 6.0 110.835 174.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -64.69 -21.22 66.69 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.131 1.373 . . . . 6.0 114.147 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 43.7 mt -69.01 133.69 48.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.137 0.881 . . . . 6.0 111.688 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -72.5 105.85 4.34 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.225 0.61 . . . . 6.0 109.434 175.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -85.76 -8.9 57.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.073 1.349 . . . . 6.0 114.35 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.17 -46.77 99.27 Favored Pre-proline 0 N--CA 1.478 0.938 0 CA-C-N 120.701 1.591 . . . . 6.0 113.668 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.4 -32.5 81.02 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.287 1.992 . . . . 6.0 112.344 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 39.1 mtt -64.88 -16.89 63.77 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.622 1.169 . . . . 6.0 113.655 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.12 -22.2 3.98 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.425 1.268 . . . . 6.0 114.425 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.78 -28.47 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 118.914 0.779 . . . . 6.0 112.44 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.35 -12.81 48.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.067 1.747 . . . . 6.0 114.383 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -47.44 -25.57 1.1 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 117.953 2.575 . . . . 6.0 117.953 -172.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.48 33.57 1.3 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.616 1.567 . . . . 6.0 111.793 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -126.41 20.93 7.3 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.79 156.95 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.593 1.157 . . . . 6.0 111.589 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -122.3 85.06 2.35 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.631 1.972 . . . . 6.0 107.995 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -47.54 -40.24 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.242 1.417 . . . . 6.0 112.663 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 32.6 mt-10 -87.58 -19.93 27.13 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.12 1.896 . . . . 6.0 116.12 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -93.36 -25.09 17.86 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -42.54 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.704 1.202 . . . . 6.0 112.191 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.7 tpp -58.58 143.09 82.11 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 126.05 1.74 . . . . 6.0 114.154 -174.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -68.84 10.27 0.38 Allowed 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 123.899 3.066 . . . . 6.0 114.674 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.255 0.7 OUTLIER 48.04 28.03 1.36 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.483 2.713 . . . . 6.0 117.326 177.444 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -102.59 -58.21 0.77 Allowed Glycine 0 CA--C 1.533 1.216 0 N-CA-C 115.067 0.787 . . . . 6.0 115.067 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -160.12 147.83 12.89 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 118.564 1.182 . . . . 6.0 112.666 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.56 -36.56 0.61 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 121.921 1.748 . . . . 6.0 111.998 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.74 -18.84 65.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.25 1.42 . . . . 6.0 113.098 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 823' ' ' LEU . . . . . 0.49 HD22 ' O ' ' B' ' 823' ' ' LEU 0.274 0.0 OUTLIER -65.52 0.06 1.75 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.192 2.997 . . . . 6.0 112.077 175.087 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.19 -26.98 1.3 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.465 1.906 . . . . 6.0 114.231 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -61.41 -23.72 62.81 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.466 1.508 . . . . 6.0 114.657 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -126.32 -14.63 5.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.911 1.685 . . . . 6.0 113.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -64.8 -24.56 67.59 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.458 1.503 . . . . 6.0 113.17 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 15.3 t -149.51 -162.4 1.55 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.172 1.789 . . . . 6.0 110.81 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 829' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 415' ' ' ILE . 5.2 m -43.55 157.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 129.048 2.939 . . . . 6.0 117.29 -177.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -144.77 -170.25 3.36 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.536 1.535 . . . . 6.0 112.687 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.88 -21.31 0.4 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 117.283 2.327 . . . . 6.0 117.283 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.6 p -82.71 -25.98 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.756 1.222 . . . . 6.0 112.879 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.3 -41.18 25.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.1 1.76 . . . . 6.0 113.64 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.63 129.16 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 122.177 0.989 . . . . 6.0 111.783 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 31.7 p -70.67 1.59 5.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.22 2.304 . . . . 6.0 117.22 -175.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 44.83 54.61 13.02 Favored Pre-proline 0 N--CA 1.483 1.214 0 C-N-CA 126.217 1.807 . . . . 6.0 113.905 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.25 -14.9 31.66 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.191 3.261 . . . . 6.0 114.911 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 125.695 1.598 . . . . 6.0 113.512 -179.501 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.713 1.005 . . . . 6.0 113.713 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 37.3 p -72.64 -20.85 61.19 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.438 1.495 . . . . 6.0 114.036 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -175.37 53.46 0.13 Allowed Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.717 1.151 . . . . 6.0 114.561 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -61.47 -25.3 79.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.119 2.546 . . . . 6.0 113.498 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 31.3 p -67.12 -11.33 56.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.391 1.477 . . . . 6.0 113.735 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -131.88 9.52 4.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.122 1.769 . . . . 6.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -43.02 106.6 0.49 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.86 1.664 . . . . 6.0 113.447 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.87 -38.17 85.65 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.783 2.989 . . . . 6.0 115.053 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -69.85 -44.25 70.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 6.0 111.85 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' B' ' 800' ' ' THR . 86.8 tttt -65.04 -46.51 80.96 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.354 -0.841 . . . . 6.0 110.3 174.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -52.78 -45.7 67.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.348 1.459 . . . . 6.0 110.082 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.6 -43.12 99.45 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.796 1.238 . . . . 6.0 111.805 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.55 -48.39 81.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -38.84 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.558 1.526 . . . . 6.0 110.634 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -57.8 -45.51 85.98 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.195 0.907 . . . . 6.0 112.127 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.68 -48.19 78.15 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.309 1.044 . . . . 6.0 111.736 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.41 -44.15 92.16 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.665 1.12 . . . . 6.0 111.143 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.23 -52.4 59.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.875 0.87 . . . . 6.0 110.687 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.45 HG21 HG23 ' B' ' 812' ' ' ILE . 21.2 t -65.59 -38.9 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.706 0.632 . . . . 6.0 112.706 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -39.29 85.9 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.374 0.988 . . . . 6.0 111.619 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.76 -45.4 82.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.821 0.737 . . . . 6.0 110.284 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.25 -46.07 79.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.948 0.499 . . . . 6.0 110.999 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.32 -57.72 11.56 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 122.745 0.418 . . . . 6.0 109.986 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.03 -33.33 67.09 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.986 1.106 . . . . 6.0 113.986 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -64.61 -54.75 26.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.685 1.129 . . . . 6.0 109.591 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -43.37 66.56 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.582 1.153 . . . . 6.0 111.047 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.86 -38.16 73.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.405 0.682 . . . . 6.0 111.275 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.95 -35.9 81.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.304 1.042 . . . . 6.0 110.229 173.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.73 -39.19 70.77 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.933 0.788 . . . . 6.0 111.093 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -59.96 -50.55 73.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.232 0.924 . . . . 6.0 111.239 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.82 -37.72 86.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.815 1.246 . . . . 6.0 112.65 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -72.57 -41.27 65.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.543 0.737 . . . . 6.0 112.122 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.05 80.41 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.572 0.749 . . . . 6.0 112.097 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . 0.286 0.0 OUTLIER 57.97 175.6 0.06 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.664 2.785 . . . . 6.0 115.948 179.548 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 92.82 -20.73 43.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.093 1.33 . . . . 6.0 115.182 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.72 16.63 4.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.554 1.542 . . . . 6.0 112.768 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.98 135.13 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.964 1.305 . . . . 6.0 111.086 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -149.47 35.54 0.72 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.926 1.29 . . . . 6.0 112.708 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . 59.74 -169.1 0.15 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.452 1.901 . . . . 6.0 113.214 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 6.1 t -141.98 177.12 8.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.618 1.567 . . . . 6.0 111.731 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.6 m -141.51 -5.63 1.06 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.03 122.21 81.61 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 119.966 1.257 . . . . 6.0 109.615 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -34.4 -36.05 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.856 1 C-N-CA 126.334 4.689 . . . . 6.0 121.578 -174.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -129.97 22.32 5.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.004 1.275 . . . . 6.0 114.096 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 7.7 t -51.28 -53.25 37.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.89 1.276 . . . . 6.0 111.385 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -35.41 74.93 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.613 1.165 . . . . 6.0 113.149 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.1 m -66.03 -50.9 62.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.818 0.847 . . . . 6.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 26.1 mmt -63.43 -42.63 98.7 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 123.427 0.691 . . . . 6.0 111.264 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.23 -42.34 81.22 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.644 1.111 . . . . 6.0 111.676 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -63.8 -43.49 96.12 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.985 0.514 . . . . 6.0 111.517 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.97 -41.43 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.991 0.916 . . . . 6.0 111.46 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.18 -46.22 71.28 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.684 1.594 . . . . 6.0 111.344 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.98 -41.35 96.25 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.773 -0.58 . . . . 6.0 110.067 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.94 -50.67 72.84 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.064 0.847 . . . . 6.0 110.439 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 61.8 mtp -52.93 -35.72 58.81 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.471 1.508 . . . . 6.0 112.088 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.0 m -71.73 -0.75 11.75 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.013 1.325 . . . . 6.0 113.843 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -130.02 -22.79 2.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.613 1.565 . . . . 6.0 112.581 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.08 160.64 17.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.32 1.848 . . . . 6.0 112.864 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -141.33 1.4 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.727 2.011 . . . . 6.0 113.561 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.42 0.58 32.71 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.008 1.855 . . . . 6.0 116.008 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.43 -142.51 36.52 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.09 -1.006 . . . . 6.0 114.159 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.09 19.97 0.14 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.22 1.408 . . . . 6.0 113.861 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -135.13 13.8 3.56 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.735 1.614 . . . . 6.0 114.79 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.9 t -56.23 152.03 11.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 6.0 114.434 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.62 -24.68 62.78 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.907 1.283 . . . . 6.0 111.782 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t -82.82 110.8 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.364 -1.347 . . . . 6.0 107.364 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.43 58.24 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.731 1.382 . . . . 6.0 114.731 -175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.74 -32.22 62.04 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.988 -1.006 . . . . 6.0 113.65 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.5 -64.24 0.99 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.273 1.429 . . . . 6.0 112.68 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.85 80.46 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.676 -0.64 . . . . 6.0 112.605 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -63.87 -47.97 78.56 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.622 0.369 . . . . 6.0 110.912 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.4 m -59.7 -46.18 89.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.354 1.462 . . . . 6.0 111.637 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -52.72 -42.62 65.03 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.926 0.891 . . . . 6.0 111.885 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -74.09 -44.18 54.95 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.524 0.73 . . . . 6.0 112.29 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.06 -43.23 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.526 1.131 . . . . 6.0 113.701 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.1 mt -55.17 -48.66 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.89 1.676 . . . . 6.0 110.761 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.3 m -57.47 -23.09 47.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.111 1.523 . . . . 6.0 115.111 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.25 -58.1 4.15 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.899 1.227 . . . . 6.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -61.44 -28.8 69.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.802 0.841 . . . . 6.0 112.561 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -63.78 -19.99 65.42 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.543 1.312 . . . . 6.0 114.543 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.54 -28.76 2.48 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.829 1.789 . . . . 6.0 115.829 -173.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.424 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.4 t -67.94 149.59 49.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.481 1.037 . . . . 6.0 112.792 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 63.2 p -139.87 -24.87 0.82 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.843 1.423 . . . . 6.0 114.843 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.71 119.85 7.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.831 1.196 . . . . 6.0 112.905 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -63.01 -6.83 4.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.698 1.999 . . . . 6.0 116.093 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.95 7.35 13.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.845 1.658 . . . . 6.0 113.522 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.8 t -48.77 126.46 13.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.856 1.662 . . . . 6.0 113.133 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -52.7 -23.0 18.79 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.637 2.891 . . . . 6.0 116.122 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 8.8 t -116.17 -44.95 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 116.682 -1.628 . . . . 6.0 110.994 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.505 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 36.9 m -69.89 -23.31 63.23 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.726 2.057 . . . . 6.0 114.375 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.9 tp -39.28 -56.62 2.61 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 121.625 2.011 . . . . 6.0 114.458 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -58.61 -33.98 98.56 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.152 1.901 . . . . 6.0 114.008 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.6 mp -74.04 -42.62 59.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.016 1.735 . . . . 6.0 111.18 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.505 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 43.3 mttt -60.96 -37.14 81.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.758 1.223 . . . . 6.0 108.952 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.89 -49.71 49.52 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.085 1.354 . . . . 6.0 110.362 172.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.548 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -47.96 -27.03 1.98 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.007 2.123 . . . . 6.0 114.629 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.1 OUTLIER -121.93 22.95 10.22 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.671 1.188 . . . . 6.0 114.104 -179.236 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -145.98 38.11 1.08 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.796 1.238 . . . . 6.0 112.109 176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -65.13 -5.81 7.6 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.14 1.376 . . . . 6.0 114.318 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 127.948 2.499 . . . . 6.0 112.841 179.041 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.543 0 N-CA-C 114.787 0.675 . . . . 6.0 114.787 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 46.1 m -132.74 12.1 4.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.93 1.692 . . . . 6.0 113.401 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -151.93 170.04 20.82 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.743 1.617 . . . . 6.0 111.976 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 57.8 ttp -65.67 155.21 36.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.511 1.125 . . . . 6.0 111.397 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.4 149.75 73.22 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 125.597 1.559 . . . . 6.0 110.791 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.66 8.89 1.11 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.945 3.097 . . . . 6.0 118.121 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.19 104.49 3.81 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.581 1.552 . . . . 6.0 113.445 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -66.24 159.73 48.49 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.955 3.103 . . . . 6.0 109.432 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -78.8 106.81 11.06 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.966 -1.084 . . . . 6.0 113.665 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.4 tt -27.99 129.61 0.21 Allowed Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 131.247 3.819 . . . . 6.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -54.86 128.17 29.33 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.409 2.073 . . . . 6.0 113.562 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -47.8 -42.14 25.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.241 1.816 . . . . 6.0 115.141 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.24 -28.22 68.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.331 -0.856 . . . . 6.0 113.04 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 37.2 mt -89.36 -20.1 24.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.193 0.997 . . . . 6.0 112.618 175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.86 -34.12 67.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 120.504 1.502 . . . . 6.0 111.442 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -68.58 -17.19 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.227 1.811 . . . . 6.0 114.093 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.51 116.42 16.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.303 0.956 . . . . 6.0 109.848 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.52 115.38 10.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.803 -0.814 . . . . 6.0 108.803 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 800' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 349' ' ' LYS . 22.5 p -81.1 -5.28 57.47 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.148 1.907 . . . . 6.0 116.148 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -53.46 -44.81 98.34 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-N 120.459 1.481 . . . . 6.0 114.175 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -63.29 -37.57 49.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.436 2.091 . . . . 6.0 111.578 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -17.12 62.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.401 1.08 . . . . 6.0 113.512 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -54.37 -22.93 13.61 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.401 1.455 . . . . 6.0 114.42 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.38 -26.48 40.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 119.411 1.005 . . . . 6.0 111.924 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -89.9 -10.02 46.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.99 2.116 . . . . 6.0 113.932 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -46.05 -24.17 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 118.092 2.627 . . . . 6.0 118.092 -171.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 32.37 1.52 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.361 1.464 . . . . 6.0 112.36 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 8.4 m -128.82 18.94 6.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.048 1.87 . . . . 6.0 116.048 -172.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.9 150.2 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.919 0.781 . . . . 6.0 112.452 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -116.73 86.43 2.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.826 2.05 . . . . 6.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.45 -36.91 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.724 1.21 . . . . 6.0 112.617 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.1 mt-10 -90.32 -19.95 23.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.643 2.09 . . . . 6.0 116.643 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.58 -16.49 16.74 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 120.423 1.465 . . . . 6.0 114.871 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -41.81 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.299 1.04 . . . . 6.0 110.914 175.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 31.5 tpp -59.97 144.5 86.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.589 1.955 . . . . 6.0 114.944 -173.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.41 -4.38 3.21 Favored 'Trans proline' 0 CA--C 1.548 1.214 0 C-N-CA 123.883 3.056 . . . . 6.0 115.548 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.318 0.7 OUTLIER 47.91 58.83 4.67 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 128.057 2.543 . . . . 6.0 115.74 179.307 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -135.13 -51.94 0.07 OUTLIER Glycine 0 CA--C 1.536 1.348 0 N-CA-C 115.178 0.831 . . . . 6.0 115.178 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.04 150.34 18.8 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.681 1.592 . . . . 6.0 111.529 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.84 -31.17 1.98 Allowed 'Trans proline' 0 CA--C 1.551 1.33 0 CA-C-N 121.447 1.553 . . . . 6.0 110.988 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.44 -13.47 58.81 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.826 1.65 . . . . 6.0 112.907 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.257 0.4 OUTLIER -52.68 -23.92 7.58 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 129.714 3.206 . . . . 6.0 111.65 175.021 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.76 -33.68 7.43 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.374 1.87 . . . . 6.0 112.941 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.63 -21.69 15.33 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.236 1.398 . . . . 6.0 115.297 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.31 -5.07 5.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.947 1.699 . . . . 6.0 113.327 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -118.31 18.7 13.64 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.241 1.416 . . . . 6.0 113.961 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 82.8 p -127.53 170.11 12.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.871 1.268 . . . . 6.0 111.17 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.82 -178.98 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.699 1.6 . . . . 6.0 114.217 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 830' ' ' ASP . . . . . 0.406 ' H ' ' HB2' ' B' ' 833' ' ' TYR . 25.1 t0 -143.52 177.27 8.58 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.221 1.193 . . . . 6.0 114.221 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.59 -33.35 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.507 -1.37 . . . . 6.0 112.416 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 4.2 p -76.34 0.32 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.94 1.696 . . . . 6.0 112.873 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 833' ' ' TYR . . . . . 0.406 ' HB2' ' H ' ' B' ' 830' ' ' ASP . 0.7 OUTLIER -112.44 -41.68 3.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.273 2.229 . . . . 6.0 113.739 -175.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.65 -9.98 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.815 1.246 . . . . 6.0 112.76 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 10.3 t -157.0 172.89 17.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.61 1.964 . . . . 6.0 111.03 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 154.75 47.1 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 126.02 1.728 . . . . 6.0 112.726 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.41 165.74 27.91 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.082 2.521 . . . . 6.0 113.102 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 125.507 1.523 . . . . 6.0 113.093 179.725 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.943 0 N-CA-C 112.587 0.588 . . . . 6.0 112.587 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.7 p -59.01 -22.64 60.99 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.621 1.712 . . . . 6.0 115.621 -177.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -157.99 179.59 33.58 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 119.494 1.043 . . . . 6.0 114.344 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.19 -14.66 34.98 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.873 3.048 . . . . 6.0 114.04 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.6 p -130.54 3.14 4.58 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.955 1.702 . . . . 6.0 114.555 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.04 37.2 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.862 1.21 . . . . 6.0 111.331 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -149.7 95.53 3.7 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.695 1.198 . . . . 6.0 110.451 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -50.84 -39.81 57.92 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.703 3.602 . . . . 6.0 114.905 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.42 -53.71 32.49 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.133 0.973 . . . . 6.0 111.164 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -40.62 93.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.719 0.808 . . . . 6.0 111.007 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -52.83 -50.35 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.052 1.741 . . . . 6.0 111.486 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -60.27 -34.47 73.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.717 0.807 . . . . 6.0 112.223 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' ' 807' ' ' ARG . 75.6 mt -67.2 -50.62 60.2 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.781 -1.104 . . . . 6.0 112.786 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.21 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 120.396 1.453 . . . . 6.0 110.79 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.57 -51.75 58.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.406 1.003 . . . . 6.0 112.282 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.5 -39.23 77.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.064 -0.97 . . . . 6.0 113.206 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.54 -44.88 89.41 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.527 1.512 . . . . 6.0 110.799 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.52 -53.34 55.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.824 0.85 . . . . 6.0 110.154 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.84 -38.01 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.26 -39.77 91.57 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.487 1.04 . . . . 6.0 111.876 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.12 -44.99 94.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.898 0.772 . . . . 6.0 110.412 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.27 -45.28 88.18 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.559 0.744 . . . . 6.0 111.383 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.19 -57.67 11.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.346 0.521 . . . . 6.0 110.169 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.32 57.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.2 1.4 . . . . 6.0 114.069 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.8 -53.67 50.67 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.042 0.837 . . . . 6.0 110.919 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -60.39 -37.19 80.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.75 0.82 . . . . 6.0 111.575 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.6 -34.66 76.17 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.631 1.172 . . . . 6.0 111.541 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -69.33 -37.82 77.9 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.726 -1.234 . . . . 6.0 110.181 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -54.95 -22.93 16.69 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.05 0.94 . . . . 6.0 113.348 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -57.35 -30.13 64.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.389 0.995 . . . . 6.0 111.832 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.91 -24.93 65.26 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.967 -1.083 . . . . 6.0 112.584 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -89.92 -40.77 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.684 1.194 . . . . 6.0 110.839 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.85 -20.09 53.69 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -142.34 -48.45 0.35 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.953 1.301 . . . . 6.0 113.786 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 82.62 -175.68 53.41 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.795 0.712 . . . . 6.0 112.225 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 52.66 27.95 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.036 1.734 . . . . 6.0 115.673 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.94 145.94 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.751 1.22 . . . . 6.0 110.512 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -130.87 -35.61 1.41 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.653 1.181 . . . . 6.0 113.801 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -156.9 -179.67 8.43 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.711 1.205 . . . . 6.0 112.807 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 34.2 t -132.95 -165.09 1.56 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.455 2.302 . . . . 6.0 110.21 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.9 t -129.68 -21.28 3.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.094 2.158 . . . . 6.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.27 125.07 91.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.121 0.968 . . . . 6.0 108.828 175.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.437 ' HB2' ' HB3' ' B' ' 809' ' ' SER . 91.4 Cg_exo -47.98 143.04 14.36 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.808 2.339 . . . . 6.0 113.675 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 58.67 8.76 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.687 2.106 . . . . 6.0 116.687 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 12.0 t -52.54 -45.18 66.24 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 120.768 1.622 . . . . 6.0 111.644 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -28.3 69.66 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 31.3 m -66.86 -48.54 68.52 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.101 1.36 . . . . 6.0 108.645 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -47.74 71.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 124.591 1.156 . . . . 6.0 111.664 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -53.32 -41.11 65.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.909 1.232 . . . . 6.0 112.099 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.22 -47.19 80.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.747 0.819 . . . . 6.0 111.769 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.06 -38.88 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.623 1.169 . . . . 6.0 111.843 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.4 -49.1 62.5 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 126.218 1.807 . . . . 6.0 112.451 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -59.75 -40.51 88.37 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 122.073 -0.392 . . . . 6.0 110.367 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.44 -53.72 54.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.446 0.698 . . . . 6.0 110.296 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.6 mtp -52.47 -34.98 51.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.961 1.704 . . . . 6.0 113.777 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 18.0 m -67.26 -16.04 64.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 6.0 113.296 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -118.84 -25.77 6.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.198 1.399 . . . . 6.0 112.487 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.487 ' HB3' HH22 ' A' ' 412' ' ' ARG . 40.9 t -64.3 143.67 57.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.29 1.436 . . . . 6.0 110.017 173.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.9 31.13 1.05 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.92 1.288 . . . . 6.0 112.064 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -64.14 -16.38 61.75 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.409 1.633 . . . . 6.0 115.409 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.26 55.02 5.34 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.069 0.85 . . . . 6.0 113.818 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp 56.56 35.66 26.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.728 1.611 . . . . 6.0 113.239 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -143.2 17.64 1.91 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.492 1.517 . . . . 6.0 113.624 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.91 158.7 18.46 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.441 1.496 . . . . 6.0 113.653 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -76.85 -21.8 54.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.438 1.495 . . . . 6.0 112.511 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.91 117.46 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.018 0.927 . . . . 6.0 108.818 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.97 56.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.322 1.971 . . . . 6.0 116.322 -174.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.91 -25.17 21.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.128 1.159 . . . . 6.0 114.128 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.5 t -56.56 -65.59 0.58 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.786 1.635 . . . . 6.0 113.6 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.41 75.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.014 0.525 . . . . 6.0 112.393 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.584 ' HA ' HD22 ' B' ' 798' ' ' LEU . 64.9 m -66.65 -47.26 73.11 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.229 -0.294 . . . . 6.0 111.522 177.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -58.31 -43.47 88.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.728 1.211 . . . . 6.0 112.22 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.487 HH22 ' HB3' ' A' ' 397' ' ' CYS . 0.6 OUTLIER -50.35 -43.35 54.06 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.577 1.551 . . . . 6.0 112.029 176.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -83.62 -40.91 18.43 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.872 1.269 . . . . 6.0 112.46 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.09 -41.75 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.299 0.954 . . . . 6.0 112.065 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.23 -49.25 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.086 1.354 . . . . 6.0 109.838 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 51.8 m -56.92 -31.09 64.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.635 0.976 . . . . 6.0 113.635 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.82 -57.55 8.58 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.91 0.777 . . . . 6.0 110.618 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -55.98 -33.92 65.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.539 1.536 . . . . 6.0 112.874 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -67.48 -13.21 61.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -132.13 -23.33 2.2 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.567 2.062 . . . . 6.0 116.567 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.0 t -62.77 148.25 47.38 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.152 1.342 . . . . 6.0 113.445 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.7 p -132.0 -14.67 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.63 1.572 . . . . 6.0 114.389 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -68.02 117.97 10.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.589 1.086 . . . . 6.0 110.779 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.0 -36.15 83.02 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 122.126 -0.359 . . . . 6.0 110.508 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.44 5.18 24.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.031 1.493 . . . . 6.0 115.031 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.84 125.45 39.09 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 107.392 -1.336 . . . . 6.0 107.392 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.22 -33.58 71.23 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.418 2.078 . . . . 6.0 112.28 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.35 -45.4 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 123.821 0.848 . . . . 6.0 111.169 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.494 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 96.3 m -73.94 -30.99 62.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.035 1.494 . . . . 6.0 115.035 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.6 tp -41.15 -52.9 6.92 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 120.898 1.681 . . . . 6.0 114.997 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -60.71 -34.84 91.42 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 122.089 1.782 . . . . 6.0 113.144 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.44 -40.9 66.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.341 1.428 . . . . 6.0 111.196 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.494 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 38.5 mttt -63.05 -31.45 72.6 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.131 1.372 . . . . 6.0 110.066 176.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.97 -47.48 44.98 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.677 1.191 . . . . 6.0 109.995 171.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -56.71 -21.31 27.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.024 1.73 . . . . 6.0 113.707 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 68.8 p -123.6 17.62 9.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.165 1.786 . . . . 6.0 113.433 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -65.42 126.88 29.65 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.954 1.302 . . . . 6.0 111.415 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -24.44 67.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.354 1.462 . . . . 6.0 113.416 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 127.412 2.285 . . . . 6.0 113.983 -179.793 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 N-CA-C 114.602 0.601 . . . . 6.0 114.602 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 77.9 p -74.18 -20.47 60.19 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.334 1.454 . . . . 6.0 114.742 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -146.55 6.86 0.96 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.418 1.487 . . . . 6.0 114.432 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -152.1 161.03 43.25 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.641 1.577 . . . . 6.0 111.55 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 28.8 m -78.57 157.3 77.43 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 123.916 0.886 . . . . 6.0 112.294 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.96 23.12 0.05 OUTLIER 'Trans proline' 0 CA--C 1.548 1.18 1 C-N-CA 125.543 4.162 . . . . 6.0 118.854 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -151.82 120.37 3.36 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.557 1.943 . . . . 6.0 110.726 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -55.29 160.25 8.92 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 122.922 2.415 . . . . 6.0 113.394 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.53 110.7 2.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.715 1.606 . . . . 6.0 114.184 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.48 121.28 59.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.111 1.764 . . . . 6.0 111.041 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.69 123.09 11.52 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.197 2.598 . . . . 6.0 112.773 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.55 -36.4 61.81 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.84 -25.2 67.1 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.014 0.925 . . . . 6.0 112.35 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.11 -28.62 18.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.664 1.186 . . . . 6.0 112.627 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -56.85 -37.87 71.88 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.024 1.284 . . . . 6.0 110.337 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -60.92 -27.78 68.44 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.753 2.021 . . . . 6.0 114.1 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.584 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.3 mt -64.69 138.17 58.24 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.983 0.81 . . . . 6.0 112.884 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -75.36 103.41 5.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.642 0.777 . . . . 6.0 110.42 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.46 -7.42 56.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.027 1.331 . . . . 6.0 114.338 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.97 -46.81 99.5 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 120.209 1.368 . . . . 6.0 113.715 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.8 -22.37 23.76 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 121.593 1.605 . . . . 6.0 111.293 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 19.2 mtt -67.68 -17.14 64.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.441 1.096 . . . . 6.0 113.358 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.09 -22.67 2.57 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.724 1.379 . . . . 6.0 114.724 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 20.7 pt -67.14 -29.13 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 118.946 0.794 . . . . 6.0 112.77 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -81.53 -17.03 49.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.926 1.69 . . . . 6.0 114.707 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 807' ' ' ARG . . . . . 0.498 ' HB2' HD21 ' A' ' 352' ' ' LEU . 29.7 tpt85 -45.99 -18.4 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.879 2.871 . . . . 6.0 118.629 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.13 30.7 1.04 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.195 1.398 . . . . 6.0 111.972 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.9 m -131.31 10.33 4.86 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.857 2.169 . . . . 6.0 116.857 -170.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.8 127.11 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 114.288 1.218 . . . . 6.0 114.288 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -87.51 85.96 7.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.576 1.55 . . . . 6.0 109.855 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.412 HG21 HD13 ' B' ' 812' ' ' ILE . 1.6 mt -47.87 -38.04 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.94 1.296 . . . . 6.0 112.694 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 87.9 mt-10 -90.07 -19.68 24.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.906 1.817 . . . . 6.0 115.906 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.01 -16.58 16.42 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.167 1.543 . . . . 6.0 115.167 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -44.39 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.406 1.082 . . . . 6.0 111.25 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.1 tpp -58.11 141.52 81.57 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.567 1.947 . . . . 6.0 114.993 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.51 4.9 2.66 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.021 3.147 . . . . 6.0 114.473 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.17 29.7 18.3 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.48 2.312 . . . . 6.0 116.286 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -77.43 -87.08 0.4 Allowed Glycine 0 CA--C 1.537 1.426 0 O-C-N 121.298 -0.876 . . . . 6.0 113.468 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -155.26 151.28 22.36 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.999 2.119 . . . . 6.0 109.463 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.66 -51.22 0.19 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.531 1.487 . . . . 6.0 114.25 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 822' ' ' LEU . . . . . 0.437 HD22 ' H ' ' B' ' 822' ' ' LEU . 2.6 mm? -61.66 -26.27 67.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 6.0 113.297 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -24.53 64.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.409 2.684 . . . . 6.0 111.771 177.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.96 -10.59 4.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.852 1.797 . . . . 6.0 115.852 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.7 55.51 Favored Glycine 0 CA--C 1.536 1.371 0 O-C-N 121.144 -0.973 . . . . 6.0 112.943 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -132.96 -9.94 3.03 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.0 -19.26 65.8 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 10.0 t -154.88 155.79 34.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.691 1.596 . . . . 6.0 111.241 -174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 8.9 m 32.18 63.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 127.123 2.169 . . . . 6.0 113.959 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.09 168.6 0.97 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.181 1.919 . . . . 6.0 116.181 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -48.02 -43.16 29.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.132 1.373 . . . . 6.0 114.419 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.11 -30.54 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.917 0.887 . . . . 6.0 112.246 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.21 -26.67 66.72 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.567 1.947 . . . . 6.0 112.676 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.94 29.28 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.271 1.428 . . . . 6.0 112.936 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 82.6 p 47.72 36.75 5.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.606 2.362 . . . . 6.0 115.642 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.05 31.08 0.21 Allowed Pre-proline 0 CA--C 1.556 1.2 0 N-CA-C 115.668 1.729 . . . . 6.0 115.668 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.52 -13.7 27.57 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.974 2.449 . . . . 6.0 114.465 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 125.709 1.604 . . . . 6.0 111.737 -179.199 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.796 1.035 . . . . 6.0 113.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.7 t -159.97 176.62 11.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.023 1.729 . . . . 6.0 111.158 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.05 165.87 37.73 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.307 1.432 . . . . 6.0 112.686 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -62.65 148.61 93.13 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.11 2.54 . . . . 6.0 111.442 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 26.6 p 52.29 8.78 0.08 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 127.868 2.467 . . . . 6.0 116.498 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -143.46 19.94 1.87 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.243 1.817 . . . . 6.0 112.396 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.33 107.98 1.04 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 124.643 1.177 . . . . 6.0 112.553 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.45 -40.94 77.19 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.863 3.042 . . . . 6.0 115.489 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.15 -42.88 65.47 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.301 -0.874 . . . . 6.0 111.752 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.23 -45.62 92.51 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.85 -0.531 . . . . 6.0 109.722 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.48 -45.28 62.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.817 1.247 . . . . 6.0 110.032 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -64.09 -41.7 97.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.429 0.691 . . . . 6.0 112.141 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.22 -51.24 70.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -42.06 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.318 1.417 . . . . 6.0 110.751 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.16 -47.66 74.83 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.353 0.978 . . . . 6.0 112.422 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.63 -46.84 83.86 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.323 -0.846 . . . . 6.0 111.788 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.12 -44.37 92.43 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.007 1.276 . . . . 6.0 110.851 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.4 -55.37 29.33 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.161 0.984 . . . . 6.0 110.13 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.421 HG21 HG23 ' B' ' 812' ' ' ILE . 20.3 t -62.14 -38.25 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 113.15 0.796 . . . . 6.0 113.15 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.39 -39.12 78.81 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.167 0.894 . . . . 6.0 111.616 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.51 -44.29 78.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.164 0.586 . . . . 6.0 110.741 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.8 -40.67 80.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.999 0.52 . . . . 6.0 111.176 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' HIS . . . . . 0.413 ' HB2' HG23 ' B' ' 815' ' ' ILE . 53.0 t60 -64.08 -60.56 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.004 0.522 . . . . 6.0 110.052 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.95 -37.05 60.71 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.803 1.241 . . . . 6.0 114.329 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -56.6 -59.12 5.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.111 0.964 . . . . 6.0 111.852 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.95 -32.31 69.16 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.455 -0.778 . . . . 6.0 112.538 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 7.1 t -62.53 -45.09 94.55 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.576 0.625 . . . . 6.0 110.973 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -56.84 -42.86 80.44 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.264 1.026 . . . . 6.0 111.507 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -57.22 -46.35 83.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 6.0 111.521 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -71.39 -43.73 66.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.918 0.887 . . . . 6.0 112.41 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.66 -42.11 87.65 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.375 1.47 . . . . 6.0 111.815 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.22 -38.34 75.22 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.859 0.864 . . . . 6.0 112.053 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -71.6 -29.28 64.51 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.705 1.002 . . . . 6.0 113.705 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.34 127.39 31.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.95 1.3 . . . . 6.0 112.185 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -62.48 -14.75 50.63 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.326 1.441 . . . . 6.0 116.607 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -135.0 26.18 3.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.214 1.806 . . . . 6.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . 0.267 4.9 p 57.66 -46.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.239 1 C-N-CA 131.779 4.032 . . . . 6.0 116.488 -177.396 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 35.84 59.37 0.87 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.401 2.68 . . . . 6.0 114.288 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -50.43 150.82 2.45 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.559 1.544 . . . . 6.0 114.862 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.83 -179.7 0.74 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.577 1.951 . . . . 6.0 116.263 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 68.7 m -136.23 -3.29 2.2 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.13 2.572 . . . . 6.0 114.402 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.19 127.0 85.48 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 120.392 1.451 . . . . 6.0 107.237 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -34.27 -33.26 0.07 OUTLIER 'Trans proline' 0 CA--C 1.543 0.954 1 C-N-CA 126.234 4.623 . . . . 6.0 121.587 -173.111 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -132.33 20.37 4.39 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.037 1.289 . . . . 6.0 113.5 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.9 t -49.57 -51.77 34.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.216 1.006 . . . . 6.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -34.06 74.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.101 0.96 . . . . 6.0 113.161 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.4 m -64.33 -50.65 66.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 6.0 109.058 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -45.13 85.79 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.859 0.864 . . . . 6.0 111.287 177.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -55.1 -41.58 71.8 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.798 1.181 . . . . 6.0 111.991 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.02 -45.15 82.54 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.644 0.778 . . . . 6.0 112.004 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.4 -41.99 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.396 1.078 . . . . 6.0 111.561 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.8 -46.55 84.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.04 1.736 . . . . 6.0 111.717 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.22 -44.19 95.39 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.632 -0.667 . . . . 6.0 110.854 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -58.97 -50.03 75.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.408 0.683 . . . . 6.0 110.778 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 62.5 mtp -53.57 -34.22 57.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.149 1.78 . . . . 6.0 112.94 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 10.3 m -70.72 -1.93 12.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.535 1.134 . . . . 6.0 113.363 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -129.1 -29.56 2.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.48 1.512 . . . . 6.0 111.938 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.64 152.25 39.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.378 1.471 . . . . 6.0 112.552 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -141.68 11.34 2.06 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.126 1.77 . . . . 6.0 112.695 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.44 7.92 2.59 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.59 1.7 . . . . 6.0 115.59 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 53.71 -135.77 41.74 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.932 -1.105 . . . . 6.0 113.39 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -83.32 16.18 2.62 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.483 1.513 . . . . 6.0 113.662 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -128.55 14.8 6.54 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.866 1.432 . . . . 6.0 114.866 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 24.9 t -58.29 151.9 18.56 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.763 1.225 . . . . 6.0 113.899 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -70.27 -27.13 64.18 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.343 1.457 . . . . 6.0 111.475 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.4 t -83.48 109.75 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 108.12 -1.067 . . . . 6.0 108.12 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.59 -40.74 39.86 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.15 -22.39 36.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.185 1.18 . . . . 6.0 114.185 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.3 t -65.43 -63.38 1.11 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.28 1.4 . . . . 6.0 111.122 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.52 69.29 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.648 0.981 . . . . 6.0 113.648 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 19.3 p -68.21 -53.09 27.25 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 117.957 0.344 . . . . 6.0 111.046 176.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.9 m -52.74 -48.19 66.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.504 1.122 . . . . 6.0 112.355 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.23 -39.64 45.2 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.125 1.77 . . . . 6.0 112.364 177.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -81.97 -42.74 18.99 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.923 1.289 . . . . 6.0 112.634 173.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.47 -42.35 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.763 1.225 . . . . 6.0 113.261 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.493 HD13 HG11 ' B' ' 829' ' ' VAL . 11.6 mt -59.75 -47.59 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.199 1.4 . . . . 6.0 110.389 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.7 m -55.33 -23.38 23.46 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.32 1.23 . . . . 6.0 114.32 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -74.73 -56.18 5.07 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.579 1.081 . . . . 6.0 111.094 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.49 -33.08 70.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.746 0.818 . . . . 6.0 112.058 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -67.31 -9.88 45.43 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.009 1.723 . . . . 6.0 114.015 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -33.0 1.14 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.525 2.046 . . . . 6.0 116.525 -174.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.9 t -65.35 150.49 48.2 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.462 1.028 . . . . 6.0 113.629 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 62.9 p -140.72 -8.12 1.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.595 1.958 . . . . 6.0 113.807 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.6 117.5 6.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.75 1.62 . . . . 6.0 111.489 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -67.35 -8.82 35.53 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.528 1.677 . . . . 6.0 115.528 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.37 15.3 8.3 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.929 1.292 . . . . 6.0 113.202 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 45.9 t -54.97 125.91 57.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 107.01 -1.478 . . . . 6.0 107.01 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.91 -40.41 44.22 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.055 1.837 . . . . 6.0 111.649 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.19 -53.52 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 117.823 -1.084 . . . . 6.0 111.067 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.614 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 74.6 m -69.07 -29.65 67.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.85 1.796 . . . . 6.0 115.85 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.1 tp -41.2 -54.82 5.58 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 120.933 1.697 . . . . 6.0 114.959 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.71 -39.13 92.88 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.044 1.766 . . . . 6.0 113.082 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.94 -44.81 65.35 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.973 1.26 . . . . 6.0 111.837 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.614 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.7 mttt -58.79 -28.26 65.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.352 1.461 . . . . 6.0 110.52 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -89.95 -29.33 18.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.414 1.886 . . . . 6.0 113.193 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -69.02 -38.59 79.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.086 2.154 . . . . 6.0 114.152 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' B' ' 818' ' ' ASN 0.297 0.8 OUTLIER -84.37 48.99 1.58 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.368 1.618 . . . . 6.0 115.368 -174.85 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -151.27 145.87 25.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.046 1.338 . . . . 6.0 111.625 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -80.54 58.28 3.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.722 1.609 . . . . 6.0 112.085 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 . . . . . 0 N--CA 1.48 1.034 0 C-N-CA 125.87 1.668 . . . . 6.0 113.386 -177.588 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.373 0 N-CA-C 114.551 0.58 . . . . 6.0 114.551 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 6.4 m -57.52 -9.25 1.04 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.579 1.951 . . . . 6.0 115.704 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -126.53 12.28 7.46 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.798 2.039 . . . . 6.0 113.014 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 26.6 ttt -68.17 -9.85 49.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.999 1.32 . . . . 6.0 114.254 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 7.8 m -140.27 151.51 64.61 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.313 2.245 . . . . 6.0 110.8 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -78.28 7.9 3.85 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.837 3.024 . . . . 6.0 115.44 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -68.85 119.18 67.71 Favored Pre-proline 0 CA--C 1.545 0.75 0 C-N-CA 127.642 2.377 . . . . 6.0 110.976 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.63 161.16 8.17 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 123.181 2.587 . . . . 6.0 112.964 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.32 108.12 1.24 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.105 1.762 . . . . 6.0 114.132 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.76 125.26 37.87 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 126.427 1.891 . . . . 6.0 110.117 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.16 126.66 23.28 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 122.598 2.199 . . . . 6.0 113.749 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -46.82 -42.47 17.22 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.477 1.911 . . . . 6.0 114.865 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.37 -26.29 66.39 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.94 0.896 . . . . 6.0 113.41 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.15 -24.5 21.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.399 1.08 . . . . 6.0 112.723 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -54.73 -38.68 67.42 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.215 1.37 . . . . 6.0 111.838 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.21 -12.74 61.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 6.0 114.576 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.5 mt -70.68 131.35 43.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.464 1.029 . . . . 6.0 111.026 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.19 106.14 3.68 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.308 0.643 . . . . 6.0 109.452 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.5 p -86.47 -7.92 58.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.895 1.278 . . . . 6.0 114.104 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.42 -46.52 98.91 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-N 120.32 1.418 . . . . 6.0 112.871 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -62.62 -32.26 79.31 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.489 2.126 . . . . 6.0 112.134 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.0 mtt -65.08 -17.3 64.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.311 1.045 . . . . 6.0 113.714 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.25 -23.2 13.97 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.45 1.278 . . . . 6.0 114.45 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.26 -28.8 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 119.457 1.026 . . . . 6.0 111.835 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.69 -10.38 53.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.324 1.849 . . . . 6.0 113.94 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -45.33 -28.55 0.85 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 117.38 2.363 . . . . 6.0 117.38 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.4 37.53 1.88 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.661 1.184 . . . . 6.0 110.966 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.6 m -128.57 15.9 6.49 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 116.426 2.01 . . . . 6.0 116.426 -172.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.05 146.8 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.242 0.928 . . . . 6.0 112.777 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -111.3 85.56 2.15 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.646 1.979 . . . . 6.0 108.68 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.421 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.25 -36.89 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.162 1.385 . . . . 6.0 112.17 -175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.0 mt-10 -89.62 -19.89 24.36 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 116.276 1.954 . . . . 6.0 116.276 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -104.34 -18.07 14.57 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.67 1.359 . . . . 6.0 114.67 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 815' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 362' ' ' HIS . 0.9 OUTLIER -62.88 -43.01 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.427 1.091 . . . . 6.0 111.614 176.366 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 19.3 tpp -57.49 144.86 70.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 127.479 2.312 . . . . 6.0 114.447 -171.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -65.17 0.88 2.32 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.356 2.704 . . . . 6.0 114.432 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.605 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.343 5.5 p30 45.77 56.21 6.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.586 1.954 . . . . 6.0 114.289 175.269 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -155.92 -33.14 0.03 OUTLIER Glycine 0 CA--C 1.536 1.369 0 N-CA-C 116.507 1.363 . . . . 6.0 116.507 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 820' ' ' ASP . . . . . 0.404 ' HB3' HD23 ' B' ' 823' ' ' LEU . 17.2 m-20 -149.02 111.52 3.54 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-N 119.842 1.821 . . . . 6.0 114.238 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.04 -85.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 125.083 3.856 . . . . 6.0 116.688 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.12 -14.78 11.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.782 2.033 . . . . 6.0 115.807 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 823' ' ' LEU . . . . . 0.651 HD22 ' H ' ' B' ' 823' ' ' LEU . 1.2 mm? -67.76 -6.33 20.58 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 129.391 3.076 . . . . 6.0 113.307 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -41.51 -35.45 0.71 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.047 2.539 . . . . 6.0 114.955 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.01 3.73 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.311 1.434 . . . . 6.0 113.764 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -127.67 21.83 6.44 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.943 1.697 . . . . 6.0 112.726 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.78 6.06 6.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -176.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 14.1 t -159.5 -164.25 1.32 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.321 1.048 . . . . 6.0 112.245 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 829' ' ' VAL . . . . . 0.493 HG11 HD13 ' A' ' 415' ' ' ILE . 23.5 t -37.1 140.83 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 129.749 3.22 . . . . 6.0 113.053 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -142.84 -177.55 5.38 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.752 2.501 . . . . 6.0 117.752 -169.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.18 -40.53 67.61 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.282 -1.511 . . . . 6.0 113.04 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.38 0.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 125.937 1.695 . . . . 6.0 113.462 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -17.66 10.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.029 2.532 . . . . 6.0 113.276 -174.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.52 11.46 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.14 1.376 . . . . 6.0 111.784 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 20.2 t -158.3 158.03 33.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.461 2.705 . . . . 6.0 110.019 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 148.42 64.37 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.343 1.057 . . . . 6.0 113.462 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.71 168.6 21.04 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.312 2.675 . . . . 6.0 112.511 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.475 0.787 0 C-N-CA 125.024 1.33 . . . . 6.0 112.645 179.192 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.747 1.018 . . . . 6.0 113.747 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 47.5 p -149.15 165.84 30.58 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.444 1.898 . . . . 6.0 111.58 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -170.42 146.76 10.06 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.157 1.361 . . . . 6.0 111.371 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.36 -21.27 61.28 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.339 2.693 . . . . 6.0 114.686 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.1 p -79.78 -9.28 59.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.878 1.271 . . . . 6.0 113.863 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -133.58 -34.99 1.01 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.184 1.179 . . . . 6.0 114.184 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 19.3 t0 14.51 88.55 0.05 OUTLIER Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 130.196 3.399 . . . . 6.0 115.027 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.94 -43.9 19.27 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 124.719 3.612 . . . . 6.0 115.935 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.3 -42.53 59.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.425 -0.797 . . . . 6.0 112.133 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -41.35 96.66 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.307 -0.871 . . . . 6.0 110.025 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -55.57 -45.25 77.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.839 1.656 . . . . 6.0 110.333 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -60.76 -40.88 94.17 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.185 0.994 . . . . 6.0 111.695 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.31 -49.59 76.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.249 1.203 . . . . 6.0 114.249 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.21 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.436 1.471 . . . . 6.0 110.735 175.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.46 -46.31 83.8 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.231 0.923 . . . . 6.0 112.169 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.99 -47.92 81.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.248 1.019 . . . . 6.0 111.754 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.36 -45.14 89.05 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.699 1.136 . . . . 6.0 111.254 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 61.8 tp -54.17 -48.13 71.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.99 0.916 . . . . 6.0 111.209 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.6 t -68.53 -38.6 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.727 0.64 . . . . 6.0 112.727 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.415 HD21 HD12 ' A' ' 381' ' ' LEU . 13.2 mt -60.82 -40.89 94.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.265 0.939 . . . . 6.0 110.87 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.44 -47.12 83.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.299 0.64 . . . . 6.0 110.178 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.98 -40.23 72.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.802 0.841 . . . . 6.0 112.222 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -65.12 -57.54 8.34 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.478 0.581 . . . . 6.0 110.077 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.48 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.501 1.296 . . . . 6.0 114.501 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.05 -44.22 64.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.962 1.305 . . . . 6.0 112.31 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -90.05 -36.19 15.05 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.216 1.406 . . . . 6.0 111.64 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.72 -35.9 77.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.596 1.089 . . . . 6.0 112.511 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.02 -33.9 74.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.666 -1.271 . . . . 6.0 110.446 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -69.42 -39.21 78.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.358 1.463 . . . . 6.0 110.963 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -57.97 -47.14 83.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.719 0.808 . . . . 6.0 110.508 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.25 -48.52 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.476 0.71 . . . . 6.0 111.641 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.5 -38.1 66.07 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.904 1.282 . . . . 6.0 113.088 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.54 -9.97 59.22 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.406 1.632 . . . . 6.0 115.406 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -134.79 -37.81 0.81 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 115.74 1.756 . . . . 6.0 115.74 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 73.55 3.13 61.74 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.322 1.439 . . . . 6.0 116.458 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -146.8 22.37 1.26 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.235 1.518 . . . . 6.0 114.907 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 378' ' ' ALA . 61.2 t -57.65 138.69 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.754 1.222 . . . . 6.0 113.4 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 39.56 2.08 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.674 2.39 . . . . 6.0 110.141 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 378' ' ' ALA . . . . . 0.473 ' H ' HG12 ' A' ' 376' ' ' VAL . . . -124.4 36.26 4.65 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.991 2.116 . . . . 6.0 113.395 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.8 t -140.56 153.47 46.14 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 6.0 111.648 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 18.4 m -147.51 5.51 0.81 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.402 1.481 . . . . 6.0 114.254 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -62.86 121.58 69.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 119.813 1.188 . . . . 6.0 111.592 -178.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.5 Cg_exo -45.41 -30.18 5.44 Favored 'Trans proline' 0 CA--C 1.54 0.789 1 C-N-CA 125.783 4.322 . . . . 6.0 118.283 -179.001 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -131.21 22.39 4.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.597 1.159 . . . . 6.0 113.879 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.96 -49.55 65.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.72 0.808 . . . . 6.0 111.14 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -35.63 75.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.622 1.169 . . . . 6.0 112.916 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 34.8 m -64.46 -50.38 67.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.512 1.125 . . . . 6.0 109.38 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.2 mmt -64.27 -45.19 89.16 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.794 0.837 . . . . 6.0 111.814 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -56.66 -42.59 79.22 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.367 0.985 . . . . 6.0 111.862 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -66.27 -45.08 81.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.228 0.611 . . . . 6.0 111.407 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.5 -43.86 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.996 0.918 . . . . 6.0 111.268 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.79 -46.77 77.46 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.576 1.55 . . . . 6.0 112.454 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -60.46 -41.11 93.45 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.877 -0.514 . . . . 6.0 111.034 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -63.0 -53.93 46.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.039 0.936 . . . . 6.0 110.611 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.8 mtp -48.65 -40.07 26.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.987 2.115 . . . . 6.0 113.162 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 85.0 m -60.29 -24.01 64.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.976 1.31 . . . . 6.0 113.872 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -130.08 7.27 5.06 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.915 1.45 . . . . 6.0 114.915 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.45 156.7 9.93 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.828 1.251 . . . . 6.0 112.776 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -137.32 -11.9 1.63 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.079 1.352 . . . . 6.0 114.508 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -91.86 -18.47 23.74 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.557 0.947 . . . . 6.0 113.557 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 36.16 -105.81 0.03 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.073 2.273 . . . . 6.0 115.864 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -56.27 -13.68 2.31 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -125.32 10.42 8.0 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.603 1.961 . . . . 6.0 113.286 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.61 145.49 44.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.113 1.365 . . . . 6.0 113.675 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -77.36 -18.41 57.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.051 1.34 . . . . 6.0 112.686 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.1 t -80.47 105.57 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.166 0.986 . . . . 6.0 108.691 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.69 -29.02 36.95 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.007 1.484 . . . . 6.0 115.007 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.04 -24.56 21.15 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.899 1.444 . . . . 6.0 114.899 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.57 -69.25 0.13 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.792 1.637 . . . . 6.0 112.813 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.28 70.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.26 0.837 . . . . 6.0 113.26 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.466 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.0 m -66.42 -47.87 71.84 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.99 -0.444 . . . . 6.0 111.56 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -58.62 -48.19 81.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.127 1.371 . . . . 6.0 111.409 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.408 HH12 ' CB ' ' B' ' 835' ' ' SER . 28.2 mmm-85 -51.04 -38.0 48.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.959 1.304 . . . . 6.0 112.401 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -82.82 -40.75 19.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.916 0.886 . . . . 6.0 112.273 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -44.32 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.119 -0.988 . . . . 6.0 112.234 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.4 mt -56.39 -46.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.105 1.762 . . . . 6.0 111.415 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 65.6 m -57.18 -28.08 62.49 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.317 1.229 . . . . 6.0 114.317 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.21 -56.59 5.76 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.293 0.952 . . . . 6.0 111.051 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -58.78 -33.71 70.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.077 0.951 . . . . 6.0 112.004 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -60.55 -16.49 38.15 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.051 1.741 . . . . 6.0 114.639 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -130.95 -26.14 2.2 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.663 1.727 . . . . 6.0 115.663 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 38.0 t -70.25 131.19 43.82 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.792 1.178 . . . . 6.0 112.555 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 81.6 p -129.79 5.44 5.04 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.659 1.583 . . . . 6.0 114.301 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.69 164.29 10.05 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.82 1.248 . . . . 6.0 113.672 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -107.1 1.75 24.44 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.582 1.553 . . . . 6.0 112.069 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -140.82 9.95 2.19 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.348 1.61 . . . . 6.0 115.348 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.3 t -55.01 125.29 56.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.423 1.089 . . . . 6.0 109.594 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -43.09 60.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.006 2.47 . . . . 6.0 112.42 -177.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.7 t -83.09 -52.24 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 117.032 -1.461 . . . . 6.0 111.749 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 77.7 m -70.68 -27.09 63.76 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 121.49 1.95 . . . . 6.0 115.734 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.7 tp -38.25 -55.21 2.47 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 121.796 2.089 . . . . 6.0 115.144 -176.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.17 -37.06 99.08 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 121.963 1.775 . . . . 6.0 113.598 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.75 -43.83 57.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.246 1.384 . . . . 6.0 111.753 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -57.52 -35.96 70.94 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 6.0 109.134 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -75.12 -47.05 30.53 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.038 1.735 . . . . 6.0 111.072 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.39 -25.14 22.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.809 1.644 . . . . 6.0 113.141 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 63.0 p -119.91 13.55 12.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.851 1.66 . . . . 6.0 114.758 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -64.34 160.33 19.13 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.951 0.9 . . . . 6.0 112.25 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -145.37 44.37 1.31 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.411 1.485 . . . . 6.0 112.11 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.424 1.89 . . . . 6.0 111.907 -177.589 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 114.782 0.673 . . . . 6.0 114.782 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 50.1 m -130.68 5.61 4.68 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.885 1.674 . . . . 6.0 113.445 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -71.17 -14.6 62.33 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.265 1.426 . . . . 6.0 114.518 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 25.5 mmt -139.5 168.9 18.78 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.044 2.138 . . . . 6.0 110.454 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.6 146.76 56.91 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.478 1.111 . . . . 6.0 112.412 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.27 14.9 2.3 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.399 3.399 . . . . 6.0 114.329 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.69 110.7 61.37 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 127.243 2.217 . . . . 6.0 111.966 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -59.03 158.67 24.43 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.938 2.425 . . . . 6.0 112.7 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -65.44 105.37 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.787 1.235 . . . . 6.0 113.614 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.31 125.25 11.81 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.624 2.37 . . . . 6.0 111.077 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -47.1 129.34 15.17 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.494 2.796 . . . . 6.0 114.391 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -54.11 -32.1 54.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.066 1.346 . . . . 6.0 113.979 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -77.11 -28.72 54.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.476 1.11 . . . . 6.0 113.017 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.7 mt -90.24 -32.52 16.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.341 1.237 . . . . 6.0 114.341 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -56.36 -29.41 61.37 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.206 1.367 . . . . 6.0 113.495 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -79.86 -9.97 59.73 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.655 1.582 . . . . 6.0 114.426 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 410' ' ' SER . 20.2 mt -64.38 138.41 58.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.79 1.177 . . . . 6.0 110.767 177.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -72.57 101.35 2.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.256 0.622 . . . . 6.0 110.538 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -7.45 57.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.072 1.349 . . . . 6.0 114.112 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.0 -47.93 95.87 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.586 1.539 . . . . 6.0 112.674 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.29 -33.58 89.4 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.456 2.104 . . . . 6.0 111.938 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 23.1 mtt -64.07 -17.4 63.35 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.585 0.957 . . . . 6.0 113.585 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -55.48 -22.93 23.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.991 1.269 . . . . 6.0 114.356 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.7 pt -62.5 -30.55 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 119.52 1.055 . . . . 6.0 111.324 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -84.65 -10.5 57.27 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.32 1.848 . . . . 6.0 114.138 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -48.08 -23.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 117.478 2.399 . . . . 6.0 117.478 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.63 33.12 1.63 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.48 1.512 . . . . 6.0 112.038 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.5 m -130.77 21.55 5.02 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.103 1.89 . . . . 6.0 116.103 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.39 154.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.991 0.814 . . . . 6.0 112.664 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -121.52 84.78 2.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.232 2.213 . . . . 6.0 109.29 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.79 -37.36 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.121 1.368 . . . . 6.0 112.527 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.7 mt-10 -90.95 -19.83 22.84 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.122 1.897 . . . . 6.0 116.122 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -104.79 -16.71 14.84 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.923 1.453 . . . . 6.0 114.923 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -43.96 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.218 1.007 . . . . 6.0 111.015 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 17.1 tpp -58.55 138.58 85.79 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.906 1.683 . . . . 6.0 113.631 -174.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.75 5.21 2.6 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.654 2.903 . . . . 6.0 113.783 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 50.81 45.09 27.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.257 2.223 . . . . 6.0 114.355 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -93.52 -71.66 1.16 Allowed Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.605 -0.685 . . . . 6.0 112.891 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.79 148.18 14.78 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.932 1.693 . . . . 6.0 111.216 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.64 -39.16 0.12 Allowed 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.038 1.826 . . . . 6.0 112.129 175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.57 -24.47 67.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.333 1.453 . . . . 6.0 112.748 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -19.61 12.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.825 2.85 . . . . 6.0 111.593 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.98 13.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.93 1.292 . . . . 6.0 113.193 173.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -55.63 -30.87 56.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.709 1.147 . . . . 6.0 113.835 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -113.69 10.88 18.02 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.853 2.061 . . . . 6.0 113.376 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -124.54 -168.94 1.89 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.589 1.155 . . . . 6.0 110.417 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . 0.275 9.4 t 58.02 -51.54 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 129.905 3.282 . . . . 6.0 117.714 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 34.7 m -156.55 172.35 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 127.076 2.15 . . . . 6.0 111.264 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -164.4 -158.03 0.4 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.542 1.137 . . . . 6.0 109.641 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -52.57 -34.52 50.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.147 -1.596 . . . . 6.0 112.911 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.7 6.68 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.739 1.616 . . . . 6.0 114.503 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -132.93 -23.95 1.95 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.22 1.808 . . . . 6.0 115.6 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 13.8 m -81.5 65.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.085 -1.009 . . . . 6.0 113.622 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 835' ' ' SER . . . . . 0.408 ' CB ' HH12 ' A' ' 412' ' ' ARG . 1.6 p 51.96 16.11 0.49 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 118.007 2.595 . . . . 6.0 118.007 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -61.64 149.75 83.56 Favored Pre-proline 0 N--CA 1.479 0.997 0 O-C-N 120.503 -1.373 . . . . 6.0 112.715 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.72 -17.15 33.43 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.065 2.51 . . . . 6.0 114.299 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.662 1.585 . . . . 6.0 112.685 179.819 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 113.536 0.939 . . . . 6.0 113.536 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.4 p -72.41 -17.49 61.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.443 1.497 . . . . 6.0 114.241 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.05 47.0 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.351 1.453 . . . . 6.0 112.729 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.41 -25.3 76.08 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.346 2.697 . . . . 6.0 112.964 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 28.1 p -68.21 -6.9 25.99 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.819 1.648 . . . . 6.0 113.39 174.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.39 27.45 1.73 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.527 1.931 . . . . 6.0 111.62 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.88 110.09 1.97 Allowed Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 123.8 0.84 . . . . 6.0 112.383 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.09 -31.22 74.17 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.043 3.162 . . . . 6.0 115.738 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.16 -42.77 20.36 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.465 -0.772 . . . . 6.0 111.332 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -59.27 -45.26 91.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.701 -0.624 . . . . 6.0 109.896 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -48.48 -44.64 35.97 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.366 1.467 . . . . 6.0 111.563 177.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -65.84 -44.21 86.2 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.785 0.72 . . . . 6.0 111.933 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 47.8 mt -56.19 -44.12 79.13 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.04 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 119.836 1.198 . . . . 6.0 111.039 173.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -57.21 -50.29 73.33 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.499 1.499 . . . . 6.0 112.804 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -59.64 -47.01 87.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.303 1.441 . . . . 6.0 111.858 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -64.66 -44.26 90.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.426 1.012 . . . . 6.0 111.27 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.66 -52.94 58.34 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.576 0.75 . . . . 6.0 110.596 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.98 -41.49 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 113.019 0.748 . . . . 6.0 113.019 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -57.82 -40.33 79.71 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.942 0.792 . . . . 6.0 111.527 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.22 -45.67 79.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.486 0.714 . . . . 6.0 111.288 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.54 -41.96 77.69 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.531 0.733 . . . . 6.0 111.06 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.9 -59.63 4.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.401 0.62 . . . . 6.0 109.961 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.4 66.65 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 117.492 2.405 . . . . 6.0 117.492 -174.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -64.19 -49.01 73.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.875 1.67 . . . . 6.0 111.996 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.47 63.22 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.384 -0.823 . . . . 6.0 111.715 174.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.38 -32.06 70.86 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.469 0.577 . . . . 6.0 110.768 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -61.63 -44.14 97.54 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.208 -1.557 . . . . 6.0 108.775 173.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -59.68 -45.87 90.78 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.174 0.99 . . . . 6.0 111.255 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -56.81 -52.01 66.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.982 1.713 . . . . 6.0 111.659 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.09 -44.83 96.76 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.907 1.683 . . . . 6.0 111.385 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -64.43 -45.25 88.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.42 1.488 . . . . 6.0 112.259 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.578 1.151 . . . . 6.0 113.461 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.49 -32.75 71.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.022 0.529 . . . . 6.0 112.244 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 59.7 14.53 29.66 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.532 1.539 . . . . 6.0 116.917 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -141.46 20.1 2.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.261 1.424 . . . . 6.0 112.135 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 378' ' ' ALA . 7.7 p -150.19 150.67 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.998 1.719 . . . . 6.0 110.762 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -136.45 23.55 3.19 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.293 1.837 . . . . 6.0 112.617 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 378' ' ' ALA . . . . . 0.561 ' H ' HG22 ' A' ' 376' ' ' VAL . . . -148.46 176.14 10.55 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.333 1.453 . . . . 6.0 114.313 -176.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 9.8 t -146.56 -168.98 3.16 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.315 2.246 . . . . 6.0 111.016 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.7 m -105.62 -17.06 14.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.623 1.969 . . . . 6.0 112.947 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -69.24 127.66 92.83 Favored Pre-proline 0 CA--C 1.554 1.116 0 CA-C-N 119.148 0.886 . . . . 6.0 109.289 176.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 84.2 Cg_exo -47.01 -28.47 7.27 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 125.11 3.873 . . . . 6.0 117.663 -177.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -131.4 23.29 4.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.812 1.245 . . . . 6.0 113.556 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.0 -49.34 66.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 6.0 111.183 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.92 74.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.326 1.051 . . . . 6.0 113.168 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.1 m -64.95 -51.0 64.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.463 1.105 . . . . 6.0 109.242 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.13 -44.01 93.53 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.976 0.91 . . . . 6.0 112.143 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -57.28 -43.08 82.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.98 0.912 . . . . 6.0 111.298 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -65.97 -42.37 89.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.292 0.637 . . . . 6.0 112.138 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.96 -46.51 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.038 0.935 . . . . 6.0 110.923 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.08 -45.07 86.78 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.646 1.179 . . . . 6.0 111.459 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.01 -43.0 81.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.944 -0.473 . . . . 6.0 110.833 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -61.22 -54.77 39.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.276 0.63 . . . . 6.0 109.984 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 80.3 mtp -52.25 -38.76 59.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.409 . . . . 6.0 113.467 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 31.1 m -65.8 -10.75 40.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.288 1.435 . . . . 6.0 113.593 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -128.77 -14.16 4.58 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.096 1.358 . . . . 6.0 113.227 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.84 131.74 44.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.09 1.756 . . . . 6.0 110.78 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -104.13 -2.1 26.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.701 1.2 . . . . 6.0 113.992 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.14 -7.68 56.22 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.26 -141.02 38.56 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.388 0.994 . . . . 6.0 113.987 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.42 17.02 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.743 1.617 . . . . 6.0 114.5 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -131.56 9.45 4.67 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.975 1.71 . . . . 6.0 114.061 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.51 154.54 13.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.294 1.038 . . . . 6.0 113.309 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -78.91 -20.31 49.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.346 1.458 . . . . 6.0 112.646 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t -75.12 118.76 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.474 1.034 . . . . 6.0 108.367 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.0 59.4 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.981 1.845 . . . . 6.0 115.981 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.31 -27.91 38.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 12.0 t -55.96 -70.23 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.407 1.483 . . . . 6.0 113.958 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.85 74.48 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.746 -0.596 . . . . 6.0 112.156 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.464 ' HA ' HD22 ' B' ' 798' ' ' LEU . 49.2 m -62.09 -50.22 72.81 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.23 0.612 . . . . 6.0 110.899 177.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.9 m -59.6 -45.46 91.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.025 1.73 . . . . 6.0 112.187 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -32.57 66.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.735 1.214 . . . . 6.0 112.313 177.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.47 -47.16 12.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.542 1.137 . . . . 6.0 111.629 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -57.33 -43.69 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.182 1.393 . . . . 6.0 114.455 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.32 -49.55 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 6.0 111.057 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.2 t -61.0 -30.71 70.45 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.633 1.345 . . . . 6.0 114.633 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -57.81 -57.84 10.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.994 1.27 . . . . 6.0 110.989 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' TRP . . . . . 0.504 ' HE1' ' CB ' ' B' ' 824' ' ' ALA . 4.8 t-105 -56.9 -37.01 70.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.139 0.975 . . . . 6.0 113.305 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -69.69 -9.85 55.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.523 1.305 . . . . 6.0 114.523 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -126.83 -24.61 3.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.506 1.669 . . . . 6.0 115.506 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.81 108.35 2.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.796 1.238 . . . . 6.0 112.259 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.4 p -82.74 -11.64 58.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.935 1.294 . . . . 6.0 113.821 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.415 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 80.8 mtm180 -65.24 122.85 18.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.346 1.459 . . . . 6.0 113.047 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -75.96 -2.35 30.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.043 0.537 . . . . 6.0 112.193 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.57 17.51 5.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.488 1.515 . . . . 6.0 114.749 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' CYS . . . . . 0.415 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 19.2 t -55.73 134.19 72.23 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.049 0.94 . . . . 6.0 109.494 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.14 -23.75 77.84 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.481 2.12 . . . . 6.0 112.214 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.7 t -101.61 -51.28 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 117.236 -1.364 . . . . 6.0 111.359 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.433 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 66.5 m -69.07 -27.14 65.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 121.196 1.816 . . . . 6.0 115.386 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -38.39 -56.74 2.06 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 120.569 1.531 . . . . 6.0 114.485 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.76 -40.34 73.67 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.086 1.857 . . . . 6.0 113.649 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.94 -36.29 81.89 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.353 1.433 . . . . 6.0 110.97 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.433 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 52.3 mttt -66.6 -38.49 87.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.8 1.24 . . . . 6.0 109.017 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -67.58 -31.11 70.95 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.331 1.052 . . . . 6.0 111.733 170.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -70.21 -18.59 63.18 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.422 1.489 . . . . 6.0 112.576 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.02 10.28 3.05 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.398 1.999 . . . . 6.0 116.398 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -153.6 156.98 38.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.756 1.622 . . . . 6.0 109.965 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 49.21 37.4 11.06 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.143 1.777 . . . . 6.0 113.582 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 126.612 1.965 . . . . 6.0 111.456 -177.192 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 N-CA-C 114.846 0.698 . . . . 6.0 114.846 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 40.5 p -61.4 144.49 53.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.806 1.243 . . . . 6.0 112.953 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -142.01 159.26 42.59 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.282 1.833 . . . . 6.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 64.0 mtt -143.43 158.72 43.42 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.12 1.368 . . . . 6.0 111.967 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.7 m -144.15 158.47 55.11 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 126.738 2.015 . . . . 6.0 110.17 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 134.66 61.2 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.002 2.468 . . . . 6.0 113.437 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -75.3 127.79 85.68 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.981 1.312 . . . . 6.0 111.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -57.2 158.73 17.29 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.366 2.711 . . . . 6.0 112.22 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.62 107.28 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.62 1.168 . . . . 6.0 113.053 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.1 124.66 22.14 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.106 2.162 . . . . 6.0 110.892 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.26 126.48 17.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.794 2.996 . . . . 6.0 113.954 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -47.31 -44.62 23.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.775 1.63 . . . . 6.0 113.847 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -65.33 -25.74 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.677 1.191 . . . . 6.0 113.188 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.7 mt -90.13 -28.63 18.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.283 1.033 . . . . 6.0 112.092 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -60.31 -32.65 71.42 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.199 1.363 . . . . 6.0 111.055 174.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -64.24 -23.46 67.32 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.531 1.532 . . . . 6.0 113.24 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 410' ' ' SER . 50.1 mt -70.02 125.95 28.27 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.277 -0.889 . . . . 6.0 110.453 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -71.48 117.2 12.73 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.642 -1.244 . . . . 6.0 107.642 173.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -90.08 -3.69 57.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.918 1.687 . . . . 6.0 114.934 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -44.2 98.67 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 120.131 1.332 . . . . 6.0 112.938 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.71 -37.75 65.9 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.145 1.897 . . . . 6.0 111.587 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -17.83 63.36 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -51.47 -24.24 4.85 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.262 1.392 . . . . 6.0 114.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.6 pt -67.12 -26.15 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.63 0.772 . . . . 6.0 112.892 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -88.23 -9.9 51.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.814 2.045 . . . . 6.0 114.887 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -51.18 -21.59 2.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 117.957 2.577 . . . . 6.0 117.957 -172.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -140.72 30.53 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 6.0 113.232 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.8 18.75 5.11 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.616 1.71 . . . . 6.0 115.616 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.96 148.2 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 O-C-N 121.069 -1.019 . . . . 6.0 113.023 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -117.86 83.63 2.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.73 2.012 . . . . 6.0 107.844 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -43.92 -43.43 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.289 1.836 . . . . 6.0 112.8 -173.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 52.0 mt-10 -85.08 -19.73 31.47 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.966 1.839 . . . . 6.0 115.966 -176.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -99.38 -18.3 17.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.162 1.542 . . . . 6.0 115.162 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -41.39 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.833 1.253 . . . . 6.0 110.724 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 11.5 tpp -67.16 137.12 94.12 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 125.228 1.411 . . . . 6.0 111.818 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.34 -3.39 13.28 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 123.683 2.922 . . . . 6.0 113.753 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 42.8 t30 58.21 101.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.848 2.859 . . . . 6.0 115.959 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -167.46 -40.96 0.02 OUTLIER Glycine 0 CA--C 1.535 1.311 0 N-CA-C 115.303 0.881 . . . . 6.0 115.303 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -163.97 144.37 6.68 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.387 1.475 . . . . 6.0 110.94 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.01 -35.48 8.92 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 121.321 1.348 . . . . 6.0 111.63 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.42 -12.97 57.4 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.926 -1.109 . . . . 6.0 112.683 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -11.2 44.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.558 2.343 . . . . 6.0 111.144 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 824' ' ' ALA . . . . . 0.504 ' CB ' ' HE1' ' A' ' 418' ' ' TRP . . . 21.94 60.92 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 118.285 2.698 . . . . 6.0 118.285 173.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . 74.03 -15.61 3.12 Favored Glycine 0 CA--C 1.542 1.748 0 O-C-N 120.394 -1.441 . . . . 6.0 116.444 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 155.18 -19.66 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.832 1 C-N-CA 134.179 4.992 . . . . 6.0 110.624 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . 0.254 35.1 t-20 51.55 41.67 28.84 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.293 2.237 . . . . 6.0 112.908 -175.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 828' ' ' THR . . . . . 0.422 HG22 ' H ' ' B' ' 828' ' ' THR . 4.4 t -69.89 -34.83 74.06 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.452 2.301 . . . . 6.0 111.726 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 8.8 m -72.61 62.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 127.074 2.15 . . . . 6.0 111.887 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -142.89 -41.98 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.967 2.21 . . . . 6.0 116.967 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -136.57 24.87 3.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.009 . . . . 6.0 111.874 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 2.0 p -146.11 -48.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.868 1.267 . . . . 6.0 112.559 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -18.28 63.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.854 1.057 . . . . 6.0 113.854 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 12.8 m -71.14 68.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 127.453 2.301 . . . . 6.0 115.005 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 3.3 m 63.99 -7.69 0.2 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 117.423 2.379 . . . . 6.0 117.423 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -157.67 124.47 2.59 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 125.424 1.49 . . . . 6.0 110.249 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.4 162.76 41.3 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.856 2.371 . . . . 6.0 112.879 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.712 0 C-N-CA 125.013 1.325 . . . . 6.0 112.158 179.083 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 112.497 0.554 . . . . 6.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 29.5 p -69.25 -16.82 63.67 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.04 1.336 . . . . 6.0 113.884 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -172.39 61.42 0.15 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.796 1.189 . . . . 6.0 113.824 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -61.21 -18.52 58.94 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.557 2.838 . . . . 6.0 114.109 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 15.0 p -78.93 -11.4 60.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.718 1.607 . . . . 6.0 113.12 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -125.18 -25.0 3.89 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.866 1.266 . . . . 6.0 114.03 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 48.6 t0 20.47 78.77 0.17 Allowed Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 129.316 3.046 . . . . 6.0 114.311 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.56 -43.74 14.05 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 125.004 3.803 . . . . 6.0 116.452 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.82 -42.9 94.62 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.526 -0.734 . . . . 6.0 111.671 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -37.39 73.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.207 1.403 . . . . 6.0 112.388 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.455 HH11 HE22 ' A' ' 354' ' ' GLN . 2.8 tmm_? -52.41 -43.24 64.69 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.23 1.412 . . . . 6.0 112.659 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -69.95 -35.54 74.58 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.589 0.631 . . . . 6.0 112.603 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' B' ' 807' ' ' ARG . 52.3 mt -60.65 -45.22 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.468 1.284 . . . . 6.0 114.468 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -41.6 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 120.439 1.472 . . . . 6.0 110.49 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.455 HE22 HH11 ' A' ' 350' ' ' ARG . 98.2 mt-30 -55.95 -44.55 78.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.288 0.949 . . . . 6.0 112.918 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.62 -47.51 72.42 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.222 -0.894 . . . . 6.0 112.121 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -63.34 -43.6 97.25 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.35 1.432 . . . . 6.0 110.765 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 45.5 tp -53.85 -54.94 31.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.803 0.841 . . . . 6.0 111.205 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.465 HG21 HG23 ' B' ' 812' ' ' ILE . 20.7 t -61.29 -40.21 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 112.569 0.581 . . . . 6.0 112.569 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.83 -41.18 86.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.395 0.543 . . . . 6.0 111.91 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.05 -46.8 76.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.825 . . . . 6.0 111.401 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 77.1 mt -57.16 -40.72 77.8 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.004 0.921 . . . . 6.0 110.741 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -65.09 -60.99 2.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.331 0.653 . . . . 6.0 110.835 174.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -50.35 -36.67 33.34 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.889 1.676 . . . . 6.0 114.708 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -65.93 -52.61 48.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.755 1.162 . . . . 6.0 111.375 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -60.77 -32.21 71.54 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.14 -0.975 . . . . 6.0 111.746 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 366' ' ' CYS . . . . . 0.417 ' CB ' ' HZ1' ' A' ' 388' ' ' LYS . 4.4 t -72.83 -41.43 64.86 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.125 1.37 . . . . 6.0 110.583 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.64 -36.29 80.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.163 -1.586 . . . . 6.0 110.688 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -56.14 -16.04 4.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.852 1.056 . . . . 6.0 113.852 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.52 -25.91 64.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.286 1.403 . . . . 6.0 111.415 174.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.61 -26.12 66.94 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.785 -1.197 . . . . 6.0 112.449 175.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -90.08 -38.66 13.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.31 1.044 . . . . 6.0 110.788 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.44 -19.09 56.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.817 1.414 . . . . 6.0 114.817 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -139.26 -51.62 0.53 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.176 1.391 . . . . 6.0 113.511 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 94.55 -11.19 70.4 Favored Glycine 0 N--CA 1.476 1.343 0 N-CA-C 116.309 1.284 . . . . 6.0 116.309 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -123.97 17.71 9.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.332 1.453 . . . . 6.0 112.919 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 99.3 t -135.81 133.34 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.565 1.546 . . . . 6.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -121.26 -31.55 4.08 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.566 1.546 . . . . 6.0 113.976 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -158.88 164.02 36.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.576 1.08 . . . . 6.0 112.932 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 p -104.29 -89.17 0.41 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.253 2.221 . . . . 6.0 113.501 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 92.8 p -158.03 -1.72 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.985 1.846 . . . . 6.0 115.985 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -56.48 126.75 70.65 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-N 120.353 1.433 . . . . 6.0 109.477 177.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 381' ' ' LEU . 20.0 Cg_exo -41.31 -31.37 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 125.442 4.095 . . . . 6.0 118.322 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -128.61 21.15 6.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.084 1.354 . . . . 6.0 113.679 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.58 -49.59 64.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 6.0 109.628 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -64.78 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.955 1.302 . . . . 6.0 113.288 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.4 m -60.53 -50.28 74.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.151 0.98 . . . . 6.0 109.196 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -45.57 82.66 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.322 1.049 . . . . 6.0 111.079 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 388' ' ' LYS . . . . . 0.417 ' HZ1' ' CB ' ' A' ' 366' ' ' CYS . 77.7 mttt -57.22 -40.81 78.28 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.968 1.258 . . . . 6.0 112.573 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -62.67 -44.18 96.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.274 0.629 . . . . 6.0 111.276 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.47 -41.09 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.421 1.089 . . . . 6.0 111.452 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.24 -49.45 67.17 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.39 1.876 . . . . 6.0 112.296 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.45 -41.11 88.9 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.774 -0.579 . . . . 6.0 110.517 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -60.23 -54.2 48.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.524 0.729 . . . . 6.0 110.395 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.7 mtp -51.55 -38.85 56.23 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.122 1.769 . . . . 6.0 113.318 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 15.8 m -64.36 -14.03 54.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.584 1.154 . . . . 6.0 113.14 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -123.33 -21.16 5.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.337 1.455 . . . . 6.0 113.375 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.27 150.21 46.49 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.559 1.544 . . . . 6.0 111.406 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -134.99 7.91 3.46 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.356 1.463 . . . . 6.0 113.263 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.57 2.42 16.55 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.738 1.384 . . . . 6.0 114.738 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 50.46 -128.57 28.1 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.308 1.432 . . . . 6.0 114.093 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.64 4.9 6.84 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.765 1.626 . . . . 6.0 115.266 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.37 7.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.352 1.612 . . . . 6.0 115.352 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.38 149.48 29.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.736 1.013 . . . . 6.0 113.736 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.98 -21.15 60.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.797 1.239 . . . . 6.0 112.725 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.95 110.84 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.668 -1.234 . . . . 6.0 107.668 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.62 -43.54 36.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.319 1.6 . . . . 6.0 115.319 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -80.99 -26.84 36.22 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 117.586 -1.197 . . . . 6.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 32.8 t -59.39 -66.97 0.42 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.518 1.527 . . . . 6.0 113.881 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.01 72.26 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.618 -0.677 . . . . 6.0 112.202 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.423 ' HA ' HD22 ' B' ' 798' ' ' LEU . 31.7 m -65.22 -46.95 78.56 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.796 0.438 . . . . 6.0 110.551 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.3 m -58.78 -46.48 87.42 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.355 . . . . 6.0 112.394 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -51.67 -43.5 62.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.182 0.993 . . . . 6.0 111.972 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -75.52 -46.86 29.73 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.814 0.846 . . . . 6.0 111.951 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -55.95 -46.91 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.613 1.165 . . . . 6.0 113.101 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.87 -54.04 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.979 1.311 . . . . 6.0 110.041 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.9 m -57.2 -26.49 60.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.199 1.185 . . . . 6.0 114.199 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -64.13 -64.8 0.79 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.107 0.867 . . . . 6.0 109.846 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -56.67 -38.59 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.889 1.276 . . . . 6.0 113.768 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -65.75 -10.05 33.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -129.97 -21.49 3.0 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.477 1.658 . . . . 6.0 115.477 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 36.6 t -64.34 109.78 2.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.855 1.262 . . . . 6.0 113.536 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 37.8 p -87.12 -10.83 51.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.1 1.36 . . . . 6.0 113.348 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.418 ' NH1' ' SG ' ' A' ' 421' ' ' CYS . 10.0 mtp-105 -65.63 105.23 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.724 1.61 . . . . 6.0 112.082 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -66.42 -6.93 16.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.366 1.067 . . . . 6.0 113.228 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.65 10.46 9.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.017 1.727 . . . . 6.0 113.971 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.7 t -54.28 130.94 61.27 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.236 1.014 . . . . 6.0 109.357 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.68 -46.45 26.83 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.619 2.213 . . . . 6.0 110.919 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.23 -53.86 17.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 117.669 -1.158 . . . . 6.0 111.419 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 63.3 m -68.94 -29.42 67.66 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 115.973 1.842 . . . . 6.0 115.973 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.6 tp -42.09 -54.0 7.87 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 120.933 1.697 . . . . 6.0 115.461 -174.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.79 -37.03 98.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 122.153 1.805 . . . . 6.0 112.917 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.7 -41.42 65.29 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.953 1.251 . . . . 6.0 111.617 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.436 ' NZ ' ' SG ' ' A' ' 421' ' ' CYS . 48.3 mttt -63.16 -23.72 67.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.161 1.384 . . . . 6.0 110.755 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -84.8 -47.6 10.22 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.754 1.622 . . . . 6.0 109.828 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.41 -40.86 65.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.942 2.097 . . . . 6.0 113.1 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 61.8 p -81.72 0.41 39.03 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.429 1.492 . . . . 6.0 113.756 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -137.89 35.25 2.39 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.127 1.371 . . . . 6.0 113.151 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -69.5 24.85 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.983 1.713 . . . . 6.0 114.076 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.28 2.232 . . . . 6.0 112.465 179.659 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.492 0 N-CA-C 114.769 0.667 . . . . 6.0 114.769 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 13.0 t -62.49 -28.63 69.97 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.08 1.352 . . . . 6.0 113.481 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -150.18 163.34 38.48 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.052 1.741 . . . . 6.0 110.906 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -63.81 157.39 24.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.046 0.938 . . . . 6.0 113.052 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.78 147.35 98.13 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 123.759 0.824 . . . . 6.0 111.898 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.08 156.95 47.05 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 122.864 2.376 . . . . 6.0 112.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -148.82 109.09 3.51 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 126.372 1.869 . . . . 6.0 107.913 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -57.13 157.18 21.84 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.946 2.431 . . . . 6.0 113.571 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -61.6 109.17 1.12 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.395 1.478 . . . . 6.0 112.497 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.57 129.87 70.38 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 126.571 1.948 . . . . 6.0 111.758 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -55.68 121.1 9.36 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.583 2.189 . . . . 6.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -27.01 66.66 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.137 1.532 . . . . 6.0 115.137 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -67.09 -25.9 66.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.532 1.06 . . . . 6.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.8 mt -90.36 -27.07 19.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.816 1.247 . . . . 6.0 112.414 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.34 -36.73 73.85 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 120.167 1.349 . . . . 6.0 110.863 174.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.21 -16.85 63.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.236 1.414 . . . . 6.0 114.403 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 410' ' ' SER . 26.0 mt -68.04 124.7 24.12 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.978 1.263 . . . . 6.0 109.2 175.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -68.12 109.88 3.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.751 -0.833 . . . . 6.0 108.751 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -4.36 58.87 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 115.332 1.604 . . . . 6.0 115.332 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.88 -45.89 99.83 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 120.333 1.424 . . . . 6.0 113.076 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -35.4 80.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.996 1.798 . . . . 6.0 112.487 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -18.21 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.383 1.073 . . . . 6.0 113.582 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -52.21 -24.23 6.87 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.075 1.307 . . . . 6.0 114.14 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.2 pt -67.15 -25.62 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 118.822 0.737 . . . . 6.0 112.472 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -89.28 -10.25 47.57 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 6.0 114.179 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 807' ' ' ARG . . . . . 0.406 ' HB2' HD21 ' A' ' 352' ' ' LEU . 47.4 tpt85 -47.34 -27.3 1.55 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.914 2.19 . . . . 6.0 116.914 -174.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.32 32.03 2.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 6.0 112.42 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.0 m -127.72 19.01 6.73 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 -174.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -145.02 153.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.29 1.036 . . . . 6.0 112.207 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -124.5 87.79 2.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.89 2.076 . . . . 6.0 108.287 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.465 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -45.89 -40.54 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.034 1.734 . . . . 6.0 113.067 -172.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 38.7 mt-10 -87.62 -19.96 27.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.225 1.935 . . . . 6.0 116.225 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -91.79 -24.95 19.25 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -45.12 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.859 1.264 . . . . 6.0 112.471 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.5 tpp -65.26 137.87 96.97 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.454 1.101 . . . . 6.0 113.71 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -76.21 17.98 0.7 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 124.354 3.369 . . . . 6.0 114.132 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.298 0.8 OUTLIER 47.21 35.27 3.57 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.784 2.433 . . . . 6.0 117.049 179.879 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -75.07 -77.95 0.66 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.627 0.632 . . . . 6.0 111.956 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -173.26 150.72 1.93 Allowed Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 126.592 1.957 . . . . 6.0 110.927 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -63.97 -39.79 30.73 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.095 1.863 . . . . 6.0 113.08 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.37 -36.73 81.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.277 1.031 . . . . 6.0 111.421 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -36.52 81.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.797 2.039 . . . . 6.0 110.123 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.62 -18.91 34.29 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.51 -30.74 59.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.576 1.084 . . . . 6.0 113.262 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -125.87 -15.59 5.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.111 1.365 . . . . 6.0 114.0 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -62.11 -27.04 68.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.074 0.95 . . . . 6.0 113.515 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 10.0 t -152.97 164.47 37.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.737 1.215 . . . . 6.0 113.088 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 5.7 m 33.71 74.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.476 2.71 . . . . 6.0 114.751 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.48 163.32 11.14 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.864 1.802 . . . . 6.0 115.864 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.6 -33.18 65.99 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.744 -1.222 . . . . 6.0 113.406 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.6 -29.84 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.762 0.825 . . . . 6.0 111.129 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -63.67 -31.86 73.17 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.048 1.739 . . . . 6.0 111.431 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 11.1 m -109.1 20.13 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 126.015 1.726 . . . . 6.0 111.985 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 86.6 p 37.12 47.82 0.68 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 130.027 3.331 . . . . 6.0 118.237 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -60.05 146.55 82.41 Favored Pre-proline 0 N--CA 1.481 1.086 0 O-C-N 120.887 -1.133 . . . . 6.0 112.408 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.16 -16.1 22.66 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.393 2.729 . . . . 6.0 113.748 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 125.68 1.592 . . . . 6.0 113.769 179.068 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 112.654 0.613 . . . . 6.0 112.654 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 4.8 p -81.85 -0.19 42.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.345 1.458 . . . . 6.0 113.273 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.34 163.43 34.13 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 127.244 2.355 . . . . 6.0 111.07 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.14 -22.91 53.6 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.302 2.668 . . . . 6.0 113.335 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.5 p -77.8 -4.5 46.82 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.023 1.729 . . . . 6.0 113.474 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -131.56 148.99 52.67 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.978 1.263 . . . . 6.0 113.54 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -157.93 106.49 1.75 Allowed Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.111 1.364 . . . . 6.0 109.982 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.28 -44.54 42.47 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.213 3.275 . . . . 6.0 116.284 -176.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -71.09 -48.63 51.34 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.307 -0.87 . . . . 6.0 112.13 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -40.77 96.87 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.789 -0.57 . . . . 6.0 110.019 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.53 -46.1 77.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.547 1.539 . . . . 6.0 111.395 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.76 -42.89 99.56 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.167 0.894 . . . . 6.0 111.631 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.69 -49.03 74.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.881 1.067 . . . . 6.0 113.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -41.5 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 120.607 1.549 . . . . 6.0 111.526 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.69 -45.53 81.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.99 1.268 . . . . 6.0 112.403 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.72 -48.07 78.55 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.501 1.12 . . . . 6.0 111.676 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.78 -43.74 95.45 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.275 1.398 . . . . 6.0 110.789 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.21 -54.17 43.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.897 0.879 . . . . 6.0 110.747 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.442 HG21 HG23 ' B' ' 812' ' ' ILE . 24.9 t -64.49 -38.17 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.256 0.836 . . . . 6.0 113.256 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.88 -39.41 85.21 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.066 0.848 . . . . 6.0 110.874 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.1 -45.57 84.65 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.598 0.636 . . . . 6.0 110.439 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.06 -42.65 76.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.182 0.593 . . . . 6.0 111.603 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -63.63 -59.65 4.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.031 0.443 . . . . 6.0 110.345 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.43 65.68 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.586 1.328 . . . . 6.0 114.586 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -55.81 -48.02 76.16 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.439 1.018 . . . . 6.0 111.442 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -80.53 -36.86 32.55 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.535 0.734 . . . . 6.0 111.594 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.33 -34.81 75.88 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.448 1.022 . . . . 6.0 111.863 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -61.58 -38.74 88.65 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.861 -1.149 . . . . 6.0 110.094 173.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -66.96 -39.59 87.28 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.187 0.995 . . . . 6.0 111.225 173.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -57.36 -45.62 84.19 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.1 0.863 . . . . 6.0 111.048 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.53 -47.29 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.062 0.545 . . . . 6.0 112.058 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -58.27 -29.07 65.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.348 0.976 . . . . 6.0 113.632 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -69.71 -10.98 60.45 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.677 1.362 . . . . 6.0 114.677 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -141.66 -23.2 0.72 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.284 1.587 . . . . 6.0 115.284 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 103.32 -22.98 34.58 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.635 2.064 . . . . 6.0 113.015 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -162.05 163.43 28.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.49 2.316 . . . . 6.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.6 p -151.65 162.15 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.26 1.024 . . . . 6.0 111.859 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.59 40.82 2.21 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.345 1.858 . . . . 6.0 111.32 177.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -132.18 32.81 3.95 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.162 1.785 . . . . 6.0 113.011 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.65 165.15 28.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.922 1.289 . . . . 6.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 87.4 p -161.56 2.62 0.06 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.755 1.622 . . . . 6.0 115.279 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -59.34 122.43 63.82 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-N 119.983 1.265 . . . . 6.0 112.122 -178.42 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 381' ' ' LEU . 67.2 Cg_exo -46.04 -29.81 6.65 Favored 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.72 4.28 . . . . 6.0 117.733 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.06 19.92 6.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.052 1.341 . . . . 6.0 113.82 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.13 -51.92 60.4 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.633 0.652 . . . . 6.0 110.733 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.74 72.88 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.826 1.046 . . . . 6.0 113.826 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 28.0 m -65.27 -50.09 67.07 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.036 1.335 . . . . 6.0 108.96 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.65 -45.99 77.18 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.176 0.99 . . . . 6.0 111.989 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -54.08 -40.86 67.6 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.951 1.251 . . . . 6.0 112.056 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.73 -47.47 80.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.675 0.79 . . . . 6.0 111.683 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.24 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.848 1.259 . . . . 6.0 111.845 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 51.6 mt -67.08 -49.35 65.36 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.04 1.736 . . . . 6.0 111.501 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -57.88 -42.83 85.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.874 -0.516 . . . . 6.0 110.72 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -59.74 -53.82 53.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.803 0.841 . . . . 6.0 110.553 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -36.06 58.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.088 1.755 . . . . 6.0 113.882 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 16.8 m -65.61 -12.0 49.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 6.0 112.955 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.21 -23.38 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.184 1.394 . . . . 6.0 113.435 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.82 140.82 58.91 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.312 1.445 . . . . 6.0 112.468 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -120.93 2.23 10.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.449 1.5 . . . . 6.0 113.589 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -75.65 -12.45 60.21 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 57.01 -143.28 40.79 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.522 1.058 . . . . 6.0 114.081 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -68.29 30.8 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.733 2.013 . . . . 6.0 114.361 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -145.86 4.61 0.99 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.57 1.948 . . . . 6.0 113.743 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 34.3 t -58.2 153.09 15.72 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.881 1.272 . . . . 6.0 113.812 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -68.88 -25.78 64.78 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.233 1.413 . . . . 6.0 112.121 176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.46 112.83 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.522 -0.918 . . . . 6.0 108.522 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.57 45.32 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.215 1.561 . . . . 6.0 115.215 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -85.75 -19.24 31.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.216 1.191 . . . . 6.0 114.216 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 9.6 t -66.45 -63.49 1.06 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.22 1.373 . . . . 6.0 110.453 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.44 66.7 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.4 p -70.01 -52.93 20.2 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.083 0.402 . . . . 6.0 110.923 175.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.8 m -51.47 -45.92 62.93 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.143 0.977 . . . . 6.0 112.529 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -49.7 -39.26 36.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.175 1.79 . . . . 6.0 112.541 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 4.6 tp-100 -90.01 -40.37 12.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.893 1.277 . . . . 6.0 112.39 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -56.83 -42.33 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.252 1.021 . . . . 6.0 111.838 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.93 -54.23 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.073 1.349 . . . . 6.0 109.67 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.3 m -50.45 -24.99 3.47 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.974 1.472 . . . . 6.0 114.974 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -73.16 -57.91 3.68 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.494 1.043 . . . . 6.0 111.229 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -58.11 -32.34 68.0 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.882 0.873 . . . . 6.0 112.14 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.75 -9.9 53.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.885 1.674 . . . . 6.0 113.798 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.34 -27.99 1.72 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.054 1.872 . . . . 6.0 116.054 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' CYS . . . . . 0.406 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 6.3 t -65.44 168.47 7.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.835 1.303 . . . . 6.0 113.404 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.0 t -163.05 -24.78 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.438 1.895 . . . . 6.0 112.988 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -47.46 116.25 1.38 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.646 1.978 . . . . 6.0 112.141 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -66.21 -7.95 21.42 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.46 15.24 7.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.93 1.292 . . . . 6.0 113.155 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.29 125.82 59.81 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.033 -1.469 . . . . 6.0 107.033 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.72 -41.79 36.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.092 1.861 . . . . 6.0 111.66 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.92 -52.26 18.35 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 124.277 1.031 . . . . 6.0 111.147 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.6 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 71.8 m -69.85 -28.93 66.08 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 115.444 1.646 . . . . 6.0 115.444 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.4 tp -41.61 -53.94 7.02 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 121.164 1.802 . . . . 6.0 115.183 -174.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.81 -35.09 98.96 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 122.068 1.774 . . . . 6.0 113.485 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.47 -43.65 63.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.502 1.501 . . . . 6.0 110.647 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.6 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 46.5 mttt -61.42 -18.77 60.36 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.883 1.673 . . . . 6.0 111.072 175.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -90.14 -45.3 9.21 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.654 1.982 . . . . 6.0 110.623 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.75 -32.88 53.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.461 2.304 . . . . 6.0 113.49 178.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 p -136.43 152.19 50.32 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.735 1.614 . . . . 6.0 111.85 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -146.83 168.18 22.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.78 1.232 . . . . 6.0 110.883 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -130.37 -5.56 4.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.752 1.621 . . . . 6.0 113.54 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 127.516 2.327 . . . . 6.0 113.832 178.156 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 N-CA-C 114.785 0.674 . . . . 6.0 114.785 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 37.4 m 52.33 33.78 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.374 1.87 . . . . 6.0 114.308 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -62.07 159.96 13.49 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.251 1.42 . . . . 6.0 113.465 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 28.2 ptm -149.34 167.68 25.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.428 1.491 . . . . 6.0 111.906 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.35 153.67 66.33 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.85 1.66 . . . . 6.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.69 174.63 11.45 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.181 2.587 . . . . 6.0 112.062 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -110.2 109.4 58.74 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.67 1.188 . . . . 6.0 109.716 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.65 158.33 16.66 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 122.715 2.276 . . . . 6.0 113.152 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.46 108.89 1.21 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.234 1.813 . . . . 6.0 113.819 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.65 123.84 69.49 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.958 1.703 . . . . 6.0 110.827 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -51.88 125.85 18.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.001 2.467 . . . . 6.0 113.035 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.31 -40.01 61.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.541 1.137 . . . . 6.0 113.984 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.97 -27.54 69.47 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.113 0.965 . . . . 6.0 112.624 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.1 mt -90.24 -29.25 18.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.57 1.148 . . . . 6.0 112.601 172.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -58.11 -36.94 73.62 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.113 1.324 . . . . 6.0 110.093 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -61.51 -28.73 69.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.208 1.803 . . . . 6.0 113.701 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.5 mt -64.99 129.09 38.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.122 0.874 . . . . 6.0 111.393 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -70.52 109.43 4.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.177 -0.675 . . . . 6.0 109.177 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.1 -6.67 58.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.637 1.347 . . . . 6.0 114.637 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.14 -47.52 98.93 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 120.481 1.491 . . . . 6.0 113.782 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.94 -30.73 77.18 Favored 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 121.49 1.568 . . . . 6.0 112.253 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.5 mtt -67.23 -16.9 64.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.977 1.311 . . . . 6.0 113.738 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -52.11 -23.3 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 18.4 pt -66.53 -28.74 44.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.443 0.697 . . . . 6.0 112.459 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.92 -11.38 53.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.082 1.753 . . . . 6.0 114.595 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -49.27 -23.72 1.5 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 117.548 2.425 . . . . 6.0 117.548 -173.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -140.63 34.38 1.82 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.09 1.356 . . . . 6.0 111.52 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.7 m -131.29 19.69 4.84 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.373 1.62 . . . . 6.0 115.373 -173.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.82 154.86 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.134 0.974 . . . . 6.0 112.351 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -126.11 84.86 2.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.966 2.107 . . . . 6.0 108.556 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.442 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -44.85 -42.25 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.332 1.853 . . . . 6.0 113.321 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.5 mt-10 -86.74 -19.91 28.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 6.0 115.625 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -94.76 -25.03 16.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.438 1.273 . . . . 6.0 114.438 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -44.2 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.735 1.214 . . . . 6.0 111.677 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 30.9 tpp -58.75 137.69 86.74 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.896 1.679 . . . . 6.0 114.151 -173.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.3 3.07 4.38 Favored 'Trans proline' 0 CA--C 1.548 1.208 0 C-N-CA 123.441 2.76 . . . . 6.0 113.437 175.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 62.81 -27.14 0.07 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 130.103 3.361 . . . . 6.0 117.29 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -55.75 -40.93 81.67 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 118.62 2.208 . . . . 6.0 118.62 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 820' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' B' ' 823' ' ' LEU . 11.1 m-20 -150.38 118.01 3.53 Favored Pre-proline 0 N--CA 1.479 1.011 0 CA-C-N 120.065 1.933 . . . . 6.0 114.927 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 821' ' ' PRO . . . . . 0.412 ' HG2' ' H ' ' B' ' 822' ' ' LEU . 49.9 Cg_endo -81.21 -90.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.28 0 C-N-CA 124.884 3.722 . . . . 6.0 115.866 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 822' ' ' LEU . . . . . 0.412 ' H ' ' HG2' ' B' ' 821' ' ' PRO . 1.3 mm? -64.63 -0.7 1.5 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.209 1.804 . . . . 6.0 115.399 -172.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 823' ' ' LEU . . . . . 0.604 ' N ' HD12 ' B' ' 823' ' ' LEU . 5.1 mp -74.02 -5.09 39.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.06 2.144 . . . . 6.0 111.638 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -41.72 -31.46 0.3 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 129.016 2.926 . . . . 6.0 114.964 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -43.22 -37.46 3.27 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.769 1.652 . . . . 6.0 113.543 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -132.31 -13.14 3.09 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.027 1.331 . . . . 6.0 113.528 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.64 -19.67 63.61 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.769 1.168 . . . . 6.0 113.802 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.4 t -154.96 163.85 39.71 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.537 1.135 . . . . 6.0 112.424 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 6.7 m 22.1 81.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 128.859 2.864 . . . . 6.0 115.229 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.04 172.44 10.06 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.75 1.759 . . . . 6.0 115.75 -176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.33 -35.3 65.04 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.411 -1.43 . . . . 6.0 113.568 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.92 -27.12 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.458 -0.776 . . . . 6.0 111.754 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -36.03 60.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 127.25 2.22 . . . . 6.0 113.502 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 15.9 m -109.63 -1.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 6.0 112.947 -175.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 3.9 t 72.7 159.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.219 2.608 . . . . 6.0 114.529 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -145.86 73.58 13.58 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 126.134 1.774 . . . . 6.0 109.989 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.83 153.38 19.9 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.689 3.593 . . . . 6.0 114.243 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 125.073 1.349 . . . . 6.0 112.431 179.105 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.976 0 N-CA-C 113.772 1.027 . . . . 6.0 113.772 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 6.6 t -81.39 162.77 23.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.853 1.261 . . . . 6.0 112.433 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -179.77 55.39 0.08 OUTLIER Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.41 -1.216 . . . . 6.0 115.476 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -62.44 -24.35 75.5 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.301 2.667 . . . . 6.0 112.987 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.8 p -68.22 -10.6 55.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.279 1.832 . . . . 6.0 112.965 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.27 25.84 2.43 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.476 1.911 . . . . 6.0 113.009 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.2 107.29 0.59 Allowed Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 125.152 1.381 . . . . 6.0 113.92 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.24 -41.83 69.52 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.439 3.426 . . . . 6.0 115.045 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.95 -47.41 71.71 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.474 -0.766 . . . . 6.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -60.4 -47.21 87.05 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.79 0.436 . . . . 6.0 110.275 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -45.54 52.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.238 1.415 . . . . 6.0 111.4 176.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -67.52 -24.35 65.55 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.023 1.12 . . . . 6.0 114.023 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 807' ' ' ARG . 67.8 mt -75.67 -51.84 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.183 1.356 . . . . 6.0 112.378 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -38.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.063 0.847 . . . . 6.0 110.585 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -53.56 -52.91 58.22 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.049 0.84 . . . . 6.0 112.594 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.58 -40.74 89.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.154 -0.927 . . . . 6.0 112.91 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.22 -43.66 94.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.136 1.334 . . . . 6.0 111.049 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.18 -53.33 58.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.834 0.854 . . . . 6.0 110.695 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 29.3 t -62.19 -40.12 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 112.909 0.707 . . . . 6.0 112.909 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 381' ' ' LEU . 12.1 mt -60.04 -40.49 89.57 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.612 0.642 . . . . 6.0 111.84 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.64 -45.35 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.786 0.721 . . . . 6.0 110.559 175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.3 -44.65 80.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.608 0.763 . . . . 6.0 111.098 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -63.02 -55.19 27.77 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.22 0.464 . . . . 6.0 110.901 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.38 -36.46 63.91 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.426 1.269 . . . . 6.0 114.426 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.38 -57.97 10.5 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.027 0.83 . . . . 6.0 110.509 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -41.31 68.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.936 1.295 . . . . 6.0 110.637 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.29 -36.73 82.15 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 122.075 -0.391 . . . . 6.0 111.715 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -39.61 83.9 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.741 -1.224 . . . . 6.0 108.557 175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -45.21 81.32 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.709 -1.244 . . . . 6.0 110.807 172.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -64.83 -35.27 80.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.228 1.011 . . . . 6.0 112.676 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.71 -41.78 99.31 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.973 0.806 . . . . 6.0 110.715 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -67.7 -32.73 73.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.025 0.93 . . . . 6.0 112.272 176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -72.74 -9.94 59.22 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.44 1.496 . . . . 6.0 114.561 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -122.22 164.89 17.05 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.528 1.531 . . . . 6.0 112.669 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -35.44 54.41 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.712 0.672 . . . . 6.0 114.148 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -157.92 145.06 18.1 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.966 1.306 . . . . 6.0 111.532 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 90.9 t -143.44 138.53 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.818 2.047 . . . . 6.0 107.303 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -13.08 6.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.781 1.4 . . . . 6.0 114.781 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -161.24 167.86 25.2 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.915 1.286 . . . . 6.0 112.895 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 48.5 t -144.52 153.55 41.97 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.161 2.185 . . . . 6.0 109.504 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 47.8 m -68.81 -20.38 64.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.553 1.316 . . . . 6.0 114.553 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER -80.37 122.05 82.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 119.421 1.01 . . . . 6.0 112.328 -178.819 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 62.4 Cg_exo -45.5 -25.24 2.13 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 126.261 4.641 . . . . 6.0 118.291 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.38 17.82 4.43 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.047 1.339 . . . . 6.0 114.435 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.7 t -53.81 -51.4 63.61 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.085 0.857 . . . . 6.0 110.887 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -38.21 74.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.511 1.524 . . . . 6.0 113.365 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 38.1 m -63.49 -50.39 69.83 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.285 1.034 . . . . 6.0 109.457 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.3 mmt -65.73 -42.77 90.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.102 1.361 . . . . 6.0 112.657 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.91 -42.79 85.48 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.352 0.978 . . . . 6.0 110.926 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.8 -39.92 91.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.412 0.685 . . . . 6.0 112.057 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.25 -46.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.031 0.932 . . . . 6.0 110.737 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.13 -46.71 86.0 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.659 1.184 . . . . 6.0 111.27 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.95 -42.26 89.39 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.779 -0.576 . . . . 6.0 111.04 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -60.05 -53.67 55.01 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.62 0.645 . . . . 6.0 109.672 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.8 mtp -52.57 -41.68 63.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.239 1.416 . . . . 6.0 112.4 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.3 m -72.22 -3.83 25.86 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.593 1.557 . . . . 6.0 113.613 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -126.65 -2.55 6.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.117 1.767 . . . . 6.0 112.055 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.511 ' CB ' HH22 ' A' ' 412' ' ' ARG . 11.1 t -90.02 161.42 15.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.894 2.478 . . . . 6.0 109.849 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -138.0 0.59 2.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.625 1.57 . . . . 6.0 113.056 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.27 38.01 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.624 1.342 . . . . 6.0 114.624 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 53.15 -137.73 36.75 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.868 1.223 . . . . 6.0 114.056 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -71.77 13.91 0.24 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.642 1.577 . . . . 6.0 114.095 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.84 10.73 5.55 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.832 1.653 . . . . 6.0 114.163 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 35.2 t -58.0 150.04 21.72 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 122.041 0.924 . . . . 6.0 112.938 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -78.1 -20.36 52.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.186 1.394 . . . . 6.0 112.868 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.02 118.05 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 119.326 0.966 . . . . 6.0 108.801 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.22 -42.8 20.9 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.542 2.053 . . . . 6.0 116.542 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -89.95 -21.97 22.18 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.73 -70.57 0.17 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.162 1.385 . . . . 6.0 113.807 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.04 69.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.478 -0.764 . . . . 6.0 112.297 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.477 ' HA ' HD22 ' B' ' 798' ' ' LEU . 54.8 m -64.28 -49.51 71.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.25 0.62 . . . . 6.0 111.068 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -60.26 -43.11 96.45 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.402 1.481 . . . . 6.0 112.173 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.511 HH22 ' CB ' ' A' ' 397' ' ' CYS . 57.3 mtt85 -52.42 -48.85 65.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.018 0.927 . . . . 6.0 110.881 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.68 -44.08 71.21 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.157 0.983 . . . . 6.0 112.292 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.99 -44.21 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.302 -0.874 . . . . 6.0 113.345 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.61 -43.07 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.695 1.198 . . . . 6.0 109.35 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.9 m -59.27 -27.28 65.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -67.69 -52.33 39.05 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.022 1.283 . . . . 6.0 110.868 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.79 -33.83 70.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.368 1.067 . . . . 6.0 112.4 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -65.29 -12.66 53.92 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.721 1.378 . . . . 6.0 114.721 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -128.23 -30.24 2.42 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.551 1.686 . . . . 6.0 115.551 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.8 t -69.51 143.64 53.39 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.743 1.156 . . . . 6.0 113.379 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.5 p -138.61 -6.85 1.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.427 1.891 . . . . 6.0 113.134 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -63.21 116.23 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.439 1.896 . . . . 6.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -65.55 -9.1 23.57 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.47 1.656 . . . . 6.0 115.47 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -124.1 14.23 9.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.785 1.234 . . . . 6.0 113.846 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.6 126.76 76.57 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 106.799 -1.556 . . . . 6.0 106.799 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -64.41 -38.62 32.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.049 1.833 . . . . 6.0 112.747 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.49 -47.65 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 118.682 -0.675 . . . . 6.0 110.252 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.531 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 72.5 m -70.0 -30.35 67.66 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.726 1.38 . . . . 6.0 114.726 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -38.37 -57.44 1.84 Allowed Pre-proline 0 N--CA 1.478 0.956 0 CA-C-N 121.052 1.751 . . . . 6.0 114.474 -175.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.2 -35.09 93.31 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 121.761 1.641 . . . . 6.0 113.579 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.26 -40.96 74.07 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.329 1.422 . . . . 6.0 110.667 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.531 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.3 mttt -61.89 -34.66 76.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.549 1.54 . . . . 6.0 109.551 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -69.17 -51.92 33.3 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.137 0.881 . . . . 6.0 110.007 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -52.4 -23.14 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.778 2.031 . . . . 6.0 114.593 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 38.2 p -121.13 6.78 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 114.866 1.432 . . . . 6.0 114.866 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -122.39 -9.8 8.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.016 0.927 . . . . 6.0 113.19 175.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -57.36 -36.24 70.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.973 0.909 . . . . 6.0 110.565 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 23.9 ttm105 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 129.415 3.086 . . . . 6.0 114.742 172.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 N-CA-C 114.704 0.641 . . . . 6.0 114.704 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 32.7 t -149.97 160.79 43.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.741 1.616 . . . . 6.0 111.775 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -130.82 10.69 5.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.378 1.871 . . . . 6.0 111.68 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -109.49 -3.18 17.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.457 1.503 . . . . 6.0 113.931 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.47 150.13 46.58 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 126.424 1.89 . . . . 6.0 110.956 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -82.37 25.61 0.66 Allowed 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.616 3.544 . . . . 6.0 114.677 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -130.36 123.64 20.66 Favored Pre-proline 0 CA--C 1.546 0.794 0 C-N-CA 126.439 1.896 . . . . 6.0 112.48 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -59.39 162.3 14.98 Favored 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 123.596 2.864 . . . . 6.0 114.07 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.23 112.57 2.45 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.007 2.123 . . . . 6.0 114.178 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -59.22 123.42 69.77 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 125.646 1.579 . . . . 6.0 111.268 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -51.92 125.46 17.22 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.388 2.725 . . . . 6.0 113.643 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -48.13 -41.31 26.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.218 1.807 . . . . 6.0 114.611 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.16 -25.46 64.38 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.41 1.084 . . . . 6.0 113.328 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.8 mt -90.05 -26.94 20.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.265 1.026 . . . . 6.0 112.056 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -56.28 -36.51 68.69 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.706 1.139 . . . . 6.0 112.015 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -72.73 -11.78 60.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 6.0 114.478 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.3 mt -70.49 138.47 51.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.577 1.08 . . . . 6.0 111.113 177.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -74.06 103.07 4.4 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.457 0.703 . . . . 6.0 110.308 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.3 p -87.09 -10.69 52.25 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.651 1.181 . . . . 6.0 114.071 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.94 -47.65 98.51 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 120.245 1.384 . . . . 6.0 113.681 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.48 -23.12 23.88 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.142 1.895 . . . . 6.0 111.475 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.7 mtt -67.54 -16.44 64.19 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.313 1.045 . . . . 6.0 113.333 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.04 -22.11 9.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.898 1.444 . . . . 6.0 114.898 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.1 pt -63.63 -28.99 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.122 0.874 . . . . 6.0 111.808 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.89 -13.63 50.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.902 1.681 . . . . 6.0 114.142 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 807' ' ' ARG . . . . . 0.414 ' HB2' HD21 ' A' ' 352' ' ' LEU . 16.6 ttp85 -47.01 -28.27 1.59 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.206 2.299 . . . . 6.0 117.206 -172.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -141.31 33.52 1.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.445 1.498 . . . . 6.0 112.116 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 809' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 7.5 m -126.61 19.94 7.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.151 1.537 . . . . 6.0 115.151 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.6 t -143.56 157.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.175 0.99 . . . . 6.0 112.419 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -123.05 82.75 2.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.862 2.065 . . . . 6.0 108.693 175.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.6 mt -47.63 -38.46 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.573 1.549 . . . . 6.0 112.46 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 76.6 mt-10 -89.67 -19.8 24.41 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.588 1.699 . . . . 6.0 115.588 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -100.19 -20.89 15.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.108 1.522 . . . . 6.0 115.108 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -42.68 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.513 1.125 . . . . 6.0 111.705 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 816' ' ' MET . . . . . 0.426 ' HA ' ' HD3' ' B' ' 817' ' ' PRO . 22.9 tpp -61.09 139.9 94.23 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.269 1.827 . . . . 6.0 115.824 -171.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 817' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 816' ' ' MET . 31.2 Cg_exo -60.29 -8.01 7.75 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 124.34 3.36 . . . . 6.0 116.127 174.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 66.2 t30 54.5 53.4 10.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.03 2.132 . . . . 6.0 115.429 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -110.2 -68.54 0.59 Allowed Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.452 1.025 . . . . 6.0 113.652 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -158.88 142.66 11.04 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.567 1.547 . . . . 6.0 111.562 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.55 -43.68 0.07 OUTLIER 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.397 2.064 . . . . 6.0 113.348 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.23 -23.25 65.49 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.704 1.202 . . . . 6.0 112.792 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.26 33.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.743 2.817 . . . . 6.0 111.263 173.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.33 17.66 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.895 1.278 . . . . 6.0 114.317 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -63.58 -12.17 45.32 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.537 1.065 . . . . 6.0 114.523 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -137.49 20.21 2.92 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.664 2.385 . . . . 6.0 111.677 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -130.14 -154.28 0.62 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.021 0.928 . . . . 6.0 111.249 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . 0.324 9.0 t 47.01 -130.89 1.38 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.849 1.66 . . . . 6.0 111.874 -176.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.04 151.0 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.311 1.414 . . . . 6.0 113.763 -175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -142.47 -98.88 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.623 1.169 . . . . 6.0 112.094 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.08 -25.57 67.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 119.952 -1.718 . . . . 6.0 113.114 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.13 -8.87 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.25 1.82 . . . . 6.0 114.782 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 -26.18 0.77 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.99 1.848 . . . . 6.0 115.99 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.56 -37.16 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -170.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 80.0 p -162.8 175.39 11.33 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 6.0 113.464 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.63 133.74 86.01 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 124.212 1.005 . . . . 6.0 111.494 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.18 -21.52 9.53 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 124.463 3.442 . . . . 6.0 117.834 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.832 1.253 . . . . 6.0 112.29 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 112.69 0.626 . . . . 6.0 112.69 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 4.8 t -75.74 -4.7 41.9 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.044 -1.035 . . . . 6.0 113.58 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 57.39 55.67 29.17 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.434 1.492 . . . . 6.0 114.822 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.22 -23.19 72.74 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.177 2.584 . . . . 6.0 113.772 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 16.5 p -97.46 5.88 49.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.598 1.959 . . . . 6.0 113.107 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -129.82 -33.62 1.79 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.63 1.344 . . . . 6.0 114.63 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 24.9 t0 20.78 83.88 0.1 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 129.795 3.238 . . . . 6.0 115.621 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.18 -42.38 33.18 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.855 3.703 . . . . 6.0 115.022 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.424 ' CD ' ' HE ' ' B' ' 807' ' ' ARG . 6.1 tp10 -67.33 -48.28 67.99 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.08 0.952 . . . . 6.0 111.839 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -64.64 -44.11 91.54 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.52 -0.738 . . . . 6.0 110.867 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -54.49 -43.7 72.01 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.548 1.539 . . . . 6.0 110.573 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -62.46 -47.36 84.36 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.071 0.948 . . . . 6.0 110.611 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.23 -47.96 81.88 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -43.25 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.323 1.42 . . . . 6.0 110.988 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -53.85 -46.72 71.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.166 0.894 . . . . 6.0 112.553 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.28 -47.58 83.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.056 0.943 . . . . 6.0 111.672 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.41 -43.23 98.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.553 1.07 . . . . 6.0 110.822 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.74 -56.72 14.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 6.0 110.439 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.428 HG21 HG23 ' B' ' 812' ' ' ILE . 24.4 t -62.26 -38.79 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 113.389 0.885 . . . . 6.0 113.389 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 381' ' ' LEU . 11.9 mt -60.42 -40.53 91.37 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.112 0.869 . . . . 6.0 111.152 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 23.5 mt -65.01 -44.51 88.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.741 0.701 . . . . 6.0 110.428 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 78.9 mt -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.795 0.838 . . . . 6.0 111.457 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -66.65 -56.73 9.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.7 0.4 . . . . 6.0 110.279 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.82 -41.69 61.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.572 1.549 . . . . 6.0 114.785 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -61.58 -52.86 62.67 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.41 1.005 . . . . 6.0 110.863 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -61.73 -35.46 78.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.288 0.635 . . . . 6.0 111.769 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.39 -37.78 88.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.221 1.009 . . . . 6.0 110.939 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -68.03 -35.55 78.46 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.963 -1.086 . . . . 6.0 109.536 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -63.47 -43.41 97.41 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.677 -1.264 . . . . 6.0 110.777 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 -60.44 -40.03 89.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.265 1.026 . . . . 6.0 110.987 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.1 -48.4 73.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.093 0.957 . . . . 6.0 111.244 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -57.86 -28.82 64.5 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.822 1.249 . . . . 6.0 113.156 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.45 -10.27 54.21 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 114.108 1.151 . . . . 6.0 114.108 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -130.52 -42.33 1.17 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.405 1.482 . . . . 6.0 113.152 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.95 38.22 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 126.145 1.831 . . . . 6.0 115.247 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -139.46 22.55 2.53 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.0 1.4 . . . . 6.0 113.53 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.58 144.39 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 120.765 -1.209 . . . . 6.0 112.37 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.79 156.05 25.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.094 0.958 . . . . 6.0 110.026 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.5 151.62 19.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.85 1.056 . . . . 6.0 113.85 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 7.2 p -73.38 -87.65 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.969 2.507 . . . . 6.0 112.726 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 85.3 p -169.33 -13.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.436 1.894 . . . . 6.0 115.011 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER -63.32 122.72 77.46 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 120.079 1.308 . . . . 6.0 112.958 -177.456 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 63.7 Cg_exo -46.09 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 125.899 4.399 . . . . 6.0 118.161 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -131.5 23.04 4.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.676 1.191 . . . . 6.0 113.649 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.31 -47.86 68.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.828 0.851 . . . . 6.0 111.72 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.99 77.04 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.436 1.094 . . . . 6.0 112.919 176.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 61.1 m -63.22 -50.54 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.775 1.23 . . . . 6.0 108.963 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -64.69 -45.02 88.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.624 1.169 . . . . 6.0 112.681 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -57.13 -44.19 83.11 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.315 0.961 . . . . 6.0 111.32 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.57 -40.53 92.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.372 0.669 . . . . 6.0 112.143 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.03 -45.44 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.104 0.962 . . . . 6.0 110.844 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.36 -46.95 84.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.524 1.13 . . . . 6.0 111.295 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.08 -42.97 86.7 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.845 -0.534 . . . . 6.0 111.127 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -60.29 -52.57 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.223 0.609 . . . . 6.0 110.142 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 73.4 mtp -53.76 -37.58 63.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.32 1.448 . . . . 6.0 112.789 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 6.9 m -71.61 1.44 6.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.571 1.549 . . . . 6.0 113.608 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -130.0 -28.69 2.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.139 1.776 . . . . 6.0 111.488 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.426 ' CB ' HH22 ' A' ' 412' ' ' ARG . 43.1 t -66.46 140.67 58.04 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.743 2.017 . . . . 6.0 111.571 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.37 5.04 11.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.426 1.491 . . . . 6.0 112.972 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.72 -5.59 48.67 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.066 1.136 . . . . 6.0 114.066 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 57.04 -87.34 0.01 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 127.061 2.267 . . . . 6.0 115.52 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -124.88 18.18 8.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.368 1.467 . . . . 6.0 113.472 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -127.99 15.96 6.81 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.799 1.64 . . . . 6.0 113.606 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -63.67 161.03 15.68 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.114 1.366 . . . . 6.0 113.856 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.47 -21.95 32.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.733 1.613 . . . . 6.0 111.918 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.1 t -79.75 115.51 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.408 -0.96 . . . . 6.0 108.408 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.56 -41.18 66.2 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -83.13 -21.43 33.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.5 t -61.32 -68.2 0.34 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.206 1.366 . . . . 6.0 112.832 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.63 76.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.349 0.87 . . . . 6.0 113.349 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' SER . . . . . 0.486 ' HA ' HD22 ' B' ' 798' ' ' LEU . 28.4 p -64.84 -52.7 55.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.954 0.343 . . . . 6.0 110.474 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.2 m -54.37 -44.98 72.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.579 1.152 . . . . 6.0 112.523 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.426 HH22 ' CB ' ' A' ' 397' ' ' CYS . 1.9 ttm180 -57.5 -37.89 73.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 6.0 112.232 178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 47.3 tp60 -76.03 -44.69 38.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.743 1.217 . . . . 6.0 112.306 174.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -44.21 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.167 1.387 . . . . 6.0 113.824 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.01 -44.73 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.973 1.309 . . . . 6.0 110.684 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 71.9 m -60.58 -21.4 62.57 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.658 1.725 . . . . 6.0 115.658 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -68.44 -55.56 11.45 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.539 1.518 . . . . 6.0 110.737 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -57.76 -32.02 67.07 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.017 1.327 . . . . 6.0 113.07 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.41 -12.53 61.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.835 1.42 . . . . 6.0 114.835 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -129.61 -30.93 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.466 1.654 . . . . 6.0 115.466 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.02 141.18 54.93 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.496 1.044 . . . . 6.0 112.971 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 64.7 p -134.5 -5.67 2.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.108 1.763 . . . . 6.0 113.413 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.48 118.81 8.05 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.75 1.62 . . . . 6.0 110.963 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -67.67 -8.81 37.98 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.349 1.611 . . . . 6.0 115.349 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.61 15.65 8.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.051 1.34 . . . . 6.0 113.317 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.85 127.62 68.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 107.692 -1.225 . . . . 6.0 107.692 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -61.3 -39.35 58.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.939 1.759 . . . . 6.0 112.055 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.12 -52.13 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.376 1.071 . . . . 6.0 111.582 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.401 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.9 m -70.28 -29.05 65.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 69.7 tp -42.48 -53.8 8.84 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 121.112 1.778 . . . . 6.0 115.042 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.01 -36.04 98.33 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.166 1.809 . . . . 6.0 113.203 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 -41.95 64.37 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.607 1.549 . . . . 6.0 111.478 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.401 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.6 mttt -62.13 -30.99 71.41 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.533 1.533 . . . . 6.0 109.741 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -77.33 -46.16 23.82 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.002 1.321 . . . . 6.0 110.547 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.94 -23.99 21.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.543 1.937 . . . . 6.0 113.387 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 80.1 p -109.93 11.26 24.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.918 1.687 . . . . 6.0 114.463 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -146.74 23.8 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.158 1.783 . . . . 6.0 111.57 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -74.33 136.16 42.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.61 1.564 . . . . 6.0 112.052 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 125.718 1.607 . . . . 6.0 112.298 178.739 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.388 0 CA-C-O 119.581 -0.566 . . . . 6.0 114.513 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 13.1 m -44.33 -32.6 1.36 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.256 2.222 . . . . 6.0 115.705 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -66.26 -15.51 63.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.189 1.395 . . . . 6.0 114.617 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 15.1 tpt -137.1 -24.16 1.11 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.789 1.774 . . . . 6.0 115.789 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 16.9 m -144.12 143.54 22.93 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.137 1.375 . . . . 6.0 113.137 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -74.74 139.86 25.53 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.766 2.311 . . . . 6.0 110.169 176.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.01 112.28 2.5 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.762 0.825 . . . . 6.0 111.225 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.57 162.1 10.96 Favored 'Trans proline' 0 CA--C 1.55 1.297 0 C-N-CA 123.314 2.676 . . . . 6.0 114.251 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.22 109.5 1.14 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.743 2.017 . . . . 6.0 113.215 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 791' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' B' ' 792' ' ' PRO . 10.8 tp -61.56 139.29 95.11 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.994 1.317 . . . . 6.0 112.718 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 792' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' B' ' 791' ' ' LEU . 71.1 Cg_endo -69.62 121.14 7.86 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.758 2.972 . . . . 6.0 112.99 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -51.12 -36.64 41.62 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.072 1.349 . . . . 6.0 114.51 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.4 -31.69 73.01 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.615 -0.678 . . . . 6.0 112.725 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.98 -28.14 19.32 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.551 0.74 . . . . 6.0 112.861 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -54.79 -31.32 58.81 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.829 1.195 . . . . 6.0 112.766 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.49 -13.43 61.42 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.057 1.343 . . . . 6.0 114.061 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 798' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 410' ' ' SER . 52.5 mt -68.67 131.75 45.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.651 1.114 . . . . 6.0 111.377 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -72.33 111.93 7.96 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.141 -1.059 . . . . 6.0 108.141 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -89.42 -6.56 56.44 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.94 1.459 . . . . 6.0 114.94 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -57.65 -43.66 98.96 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.89 1.223 . . . . 6.0 112.969 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.59 -37.92 66.0 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.216 1.944 . . . . 6.0 112.062 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -17.07 60.96 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.788 1.033 . . . . 6.0 113.788 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -53.52 -24.13 12.45 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.288 1.404 . . . . 6.0 113.923 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -65.57 -28.4 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.315 0.961 . . . . 6.0 112.089 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -86.57 -10.69 53.44 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.427 1.891 . . . . 6.0 114.544 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 807' ' ' ARG . . . . . 0.424 ' HE ' ' CD ' ' A' ' 348' ' ' GLU . 4.7 ttt-85 -48.16 -24.8 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 117.833 2.531 . . . . 6.0 117.833 -173.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -140.95 35.48 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.86 1.264 . . . . 6.0 111.668 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.3 m -131.73 19.87 4.65 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.509 1.67 . . . . 6.0 115.509 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.6 152.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.752 0.821 . . . . 6.0 112.237 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -123.21 85.36 2.41 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.711 2.004 . . . . 6.0 108.408 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 812' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -46.13 -39.72 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.102 1.761 . . . . 6.0 112.839 -173.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 813' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.2 mt-10 -86.45 -19.89 28.95 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.924 1.824 . . . . 6.0 115.924 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.43 -24.77 17.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.536 1.31 . . . . 6.0 114.536 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -40.45 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.705 1.202 . . . . 6.0 112.388 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 15.4 tpp -62.23 142.51 95.8 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 6.0 113.843 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.21 2.46 3.76 Favored 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 123.573 2.849 . . . . 6.0 114.389 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 818' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 63.8 t30 44.73 71.38 0.26 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.136 2.574 . . . . 6.0 115.893 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -134.11 -58.37 0.07 OUTLIER Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.297 0.951 . . . . 6.0 112.859 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.44 155.82 19.36 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.923 1.689 . . . . 6.0 111.071 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -79.68 -27.79 3.82 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 121.388 1.392 . . . . 6.0 110.508 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.69 -9.62 51.39 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.341 1.856 . . . . 6.0 113.106 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -7.51 4.64 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 129.729 3.212 . . . . 6.0 112.386 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -44.81 -28.85 0.69 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.868 2.467 . . . . 6.0 115.076 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -55.92 -25.82 46.36 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 124.411 1.005 . . . . 6.0 114.151 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -127.01 -23.43 3.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.409 1.883 . . . . 6.0 112.679 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -75.77 -17.6 59.83 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.876 1.27 . . . . 6.0 113.818 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 14.3 t -146.03 -160.83 1.2 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.475 1.51 . . . . 6.0 111.608 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 5.5 m -133.01 152.32 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.987 1.715 . . . . 6.0 115.567 -170.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -145.01 -86.82 0.12 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.296 1.038 . . . . 6.0 112.503 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.85 19.21 0.15 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.29 1.436 . . . . 6.0 113.76 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.92 5.76 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.135 1.774 . . . . 6.0 113.925 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -147.4 -22.98 0.39 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.666 1.728 . . . . 6.0 115.666 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.62 -21.13 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 116.386 1.995 . . . . 6.0 116.386 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 8.3 t -159.02 179.3 9.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.864 1.266 . . . . 6.0 111.289 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -52.02 150.99 7.15 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 126.505 1.922 . . . . 6.0 114.595 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.49 129.86 17.51 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.458 2.105 . . . . 6.0 110.049 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 71.9 m . . . . . 0 N--CA 1.477 0.884 0 C-N-CA 124.678 1.191 . . . . 6.0 111.826 -178.65 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 CA--C 1.552 1.04 0 N-CA-C 115.597 1.703 . . . . 6.0 115.597 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -48.32 -39.67 35.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.818 3.678 . . . . 6.0 115.416 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.73 -51.34 57.02 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.174 0.989 . . . . 6.0 110.987 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -64.24 -44.48 91.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.108 0.963 . . . . 6.0 111.783 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.94 -45.08 60.48 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.681 1.592 . . . . 6.0 110.886 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -67.18 -39.28 86.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.658 0.783 . . . . 6.0 112.246 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 807' ' ' ARG . 41.7 mt -60.13 -47.79 84.44 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -42.22 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.434 1.47 . . . . 6.0 110.865 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -54.21 -48.03 71.48 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.31 0.959 . . . . 6.0 112.698 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.02 -47.66 83.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.166 0.986 . . . . 6.0 111.728 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -63.77 -44.36 93.66 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.369 0.986 . . . . 6.0 111.162 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.34 -56.81 13.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.811 0.845 . . . . 6.0 109.998 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.419 HG21 HG23 ' B' ' 812' ' ' ILE . 24.2 t -60.75 -40.33 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 113.345 0.869 . . . . 6.0 113.345 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.78 -40.45 83.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.048 0.84 . . . . 6.0 111.507 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.94 -43.96 86.51 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.495 0.589 . . . . 6.0 110.877 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.32 -42.98 82.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.098 0.559 . . . . 6.0 111.336 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -62.45 -59.06 5.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.068 0.461 . . . . 6.0 110.011 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.87 67.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -55.7 -52.8 62.66 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 120.397 1.453 . . . . 6.0 111.489 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.12 -33.52 50.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 6.0 111.279 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.59 -35.49 79.71 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.976 0.807 . . . . 6.0 111.728 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 CA--C 1.54 0.576 0 O-C-N 120.41 -1.431 . . . . 6.0 110.234 174.391 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.557 1.228 0 CA-C-O 118.789 -0.624 . . . . 6.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.8 Cg_exo -46.22 -26.33 3.74 Favored 'Trans proline' 0 C--N 1.354 0.86 1 C-N-CA 125.785 4.323 . . . . 6.0 118.218 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.77 18.82 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.279 1.432 . . . . 6.0 113.552 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.04 -51.96 60.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.759 0.79 . . . . 6.0 110.097 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.11 78.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.688 1.595 . . . . 6.0 113.481 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 33.0 m -62.98 -49.81 73.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.167 0.987 . . . . 6.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.2 mmt -65.37 -45.68 83.15 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.079 0.952 . . . . 6.0 111.461 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -55.11 -41.96 72.31 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.965 1.257 . . . . 6.0 111.94 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -63.34 -46.14 88.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.12 0.568 . . . . 6.0 111.604 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.58 -41.33 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.56 1.144 . . . . 6.0 111.85 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.21 -48.79 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.51 1.924 . . . . 6.0 112.334 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -58.86 -39.91 82.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.818 -0.551 . . . . 6.0 110.669 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -62.5 -53.37 55.73 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.987 0.915 . . . . 6.0 110.635 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 57.9 mtp -52.17 -35.83 49.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.398 1.879 . . . . 6.0 113.632 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 124.883 1.273 . . . . 6.0 113.051 179.619 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 109.148 -0.686 . . . . 6.0 109.148 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.95 62.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -81.42 -26.16 35.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.556 1.317 . . . . 6.0 114.556 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.43 -68.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.929 1.695 . . . . 6.0 113.91 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.83 75.81 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.57 -0.706 . . . . 6.0 112.193 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.518 ' HA ' HD22 ' B' ' 798' ' ' LEU . 48.0 t -62.12 -52.72 62.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.694 0.797 . . . . 6.0 110.454 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 72.8 m -58.47 -45.35 88.79 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.708 1.603 . . . . 6.0 112.317 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -56.21 -43.14 78.24 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.488 -0.757 . . . . 6.0 111.83 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -72.65 -41.95 64.9 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.81 0.67 . . . . 6.0 112.81 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.07 -41.64 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.075 -1.016 . . . . 6.0 113.221 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.96 -47.21 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.714 1.206 . . . . 6.0 110.345 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.5 m -56.48 -25.76 52.13 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.037 1.495 . . . . 6.0 115.037 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -69.25 -61.21 1.88 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.647 1.112 . . . . 6.0 110.441 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -57.43 -32.31 66.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.939 1.295 . . . . 6.0 112.566 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -57.63 -22.38 45.16 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.566 1.321 . . . . 6.0 114.566 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -129.3 -28.36 2.34 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -172.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.43 139.2 57.97 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.727 1.149 . . . . 6.0 113.213 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.2 p -133.22 -5.2 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.94 1.696 . . . . 6.0 113.525 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.18 116.79 4.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.587 1.555 . . . . 6.0 110.923 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -66.02 -8.23 21.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.724 1.75 . . . . 6.0 115.724 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -127.12 15.0 7.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.952 1.301 . . . . 6.0 113.558 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.09 127.13 69.1 Favored Pre-proline 0 CA--C 1.55 0.946 0 N-CA-C 107.109 -1.441 . . . . 6.0 107.109 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.92 -43.1 32.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.233 1.955 . . . . 6.0 111.683 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.31 -51.67 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-O 117.888 -1.053 . . . . 6.0 111.217 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.685 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 73.6 m -69.97 -29.04 66.06 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.639 1.718 . . . . 6.0 115.639 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 65.2 tp -41.77 -54.26 7.02 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 121.133 1.788 . . . . 6.0 115.275 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.23 -34.35 98.49 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 CA-C-N 122.088 1.782 . . . . 6.0 113.261 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.31 -43.38 56.98 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.939 1.245 . . . . 6.0 111.4 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.685 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.7 mttt -60.43 -31.59 70.55 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.3 1.44 . . . . 6.0 109.905 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -77.68 -45.12 25.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.604 1.561 . . . . 6.0 110.632 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 125.922 1.689 . . . . 6.0 113.343 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 118.95 -0.548 . . . . 6.0 111.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -58.53 163.05 11.26 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 C-N-CA 123.152 2.568 . . . . 6.0 113.522 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.77 103.86 0.38 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.533 1.933 . . . . 6.0 113.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.37 124.43 39.85 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.116 1.766 . . . . 6.0 109.796 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -55.05 122.5 11.81 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.612 2.208 . . . . 6.0 112.814 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -54.52 -34.3 61.47 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.461 1.282 . . . . 6.0 114.461 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.24 -25.99 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.555 -0.715 . . . . 6.0 112.749 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.99 -23.17 21.58 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.24 1.016 . . . . 6.0 112.14 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -58.38 -34.38 70.65 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.064 1.302 . . . . 6.0 111.159 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.84 -23.29 67.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.429 1.491 . . . . 6.0 113.734 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.3 mt -70.67 121.97 18.92 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.47 0.708 . . . . 6.0 110.523 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -68.65 117.95 11.03 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.899 -1.148 . . . . 6.0 107.899 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.11 -5.11 58.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.588 1.555 . . . . 6.0 114.916 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.16 -44.68 99.82 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 120.082 1.31 . . . . 6.0 113.159 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.61 -36.6 74.84 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.267 1.978 . . . . 6.0 111.894 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -17.35 64.32 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.779 1.029 . . . . 6.0 113.779 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.78 -24.69 9.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.33 1.423 . . . . 6.0 114.09 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.13 -27.45 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 118.793 0.724 . . . . 6.0 112.36 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.5 -10.17 54.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.466 1.907 . . . . 6.0 114.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 352' ' ' LEU . 35.1 tpt85 -47.71 -24.71 1.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.249 2.315 . . . . 6.0 117.249 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -141.5 34.58 1.65 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.641 1.177 . . . . 6.0 111.553 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.2 m -131.2 20.77 4.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 156.98 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.845 0.858 . . . . 6.0 112.755 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -124.34 83.11 2.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.393 2.277 . . . . 6.0 109.53 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.419 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.19 -38.26 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.209 1.403 . . . . 6.0 112.662 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.4 mt-10 -89.53 -19.94 24.41 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.245 1.942 . . . . 6.0 116.245 -177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -102.8 -17.12 15.71 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.653 1.353 . . . . 6.0 114.653 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -43.06 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.085 0.954 . . . . 6.0 111.163 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 14.8 tpp . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 125.529 1.531 . . . . 6.0 113.814 -174.479 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.822 -1.177 . . . . 6.0 107.822 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.55 -43.74 43.6 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.162 3.241 . . . . 6.0 115.68 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -71.02 -48.88 50.47 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.421 -0.799 . . . . 6.0 112.001 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.74 97.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.872 -0.517 . . . . 6.0 110.843 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -54.81 -46.4 74.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.407 1.483 . . . . 6.0 110.989 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.25 -34.78 79.18 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.502 -0.761 . . . . 6.0 112.122 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.14 -48.44 80.11 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.697 1.135 . . . . 6.0 113.426 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.71 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.494 1.497 . . . . 6.0 110.806 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -56.95 -47.18 81.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.697 1.135 . . . . 6.0 112.078 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.26 -46.48 80.33 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.007 0.923 . . . . 6.0 111.988 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.16 -44.9 94.19 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.406 1.457 . . . . 6.0 110.595 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.07 -56.91 12.59 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 6.0 110.706 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.418 HG21 HG23 ' B' ' 812' ' ' ILE . 22.9 t -60.52 -38.57 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.64 -38.12 80.51 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.227 0.921 . . . . 6.0 111.293 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.61 -44.73 81.27 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.881 0.764 . . . . 6.0 110.515 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.68 -43.47 76.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.956 0.502 . . . . 6.0 110.72 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -64.1 -58.36 6.88 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.866 0.466 . . . . 6.0 110.937 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.09 -33.64 62.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.904 1.075 . . . . 6.0 113.904 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -57.63 -58.77 6.87 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.117 0.872 . . . . 6.0 109.804 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.9 -41.21 95.62 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.991 1.316 . . . . 6.0 112.084 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.2 t -62.45 -42.34 99.39 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.262 1.025 . . . . 6.0 111.639 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 . . . . . 0 CA--C 1.548 0.869 0 C-N-CA 125.022 1.329 . . . . 6.0 111.934 174.632 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.695 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.296 0 CA-C-O 118.861 -0.59 . . . . 6.0 109.76 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.695 ' HD2' HD13 ' A' ' 381' ' ' LEU . 32.8 Cg_exo -43.24 -32.03 2.98 Favored 'Trans proline' 0 C--N 1.353 0.789 1 C-N-CA 125.721 4.28 . . . . 6.0 118.862 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -129.97 23.54 5.31 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.815 1.246 . . . . 6.0 112.944 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.19 -47.09 75.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.78 0.832 . . . . 6.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -36.08 79.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.49 1.116 . . . . 6.0 112.918 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 23.1 m -62.45 -49.52 75.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.847 1.259 . . . . 6.0 109.323 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.72 -47.37 75.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.048 0.939 . . . . 6.0 111.777 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -54.34 -43.55 71.34 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.69 1.132 . . . . 6.0 111.669 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -62.11 -46.76 87.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.121 0.568 . . . . 6.0 111.512 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.31 -36.61 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.449 1.1 . . . . 6.0 111.974 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.22 -48.3 57.65 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.874 1.67 . . . . 6.0 112.282 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.97 -40.64 94.16 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.934 -0.479 . . . . 6.0 110.322 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -60.85 -52.18 66.16 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.137 0.975 . . . . 6.0 110.903 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -34.65 46.73 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.078 1.751 . . . . 6.0 113.48 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 124.388 1.075 . . . . 6.0 113.481 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 108.23 -1.026 . . . . 6.0 108.23 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.11 21.39 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.384 1.624 . . . . 6.0 115.384 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -88.66 -19.96 25.52 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.455 1.279 . . . . 6.0 114.455 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 14.8 t -67.03 -64.4 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.04 1.291 . . . . 6.0 110.87 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.305 0.854 . . . . 6.0 113.305 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 10.5 p -70.23 -52.1 25.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 119.139 -0.458 . . . . 6.0 111.013 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -51.87 -49.03 63.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.134 0.974 . . . . 6.0 112.141 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -47.51 -41.4 20.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.694 1.998 . . . . 6.0 112.524 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -84.01 -42.36 16.28 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.155 1.382 . . . . 6.0 112.93 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 414' ' ' ILE . 1.8 tt -58.92 -43.95 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.641 1.176 . . . . 6.0 112.91 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.6 mt -58.11 -44.92 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.962 1.705 . . . . 6.0 109.747 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.0 m -57.9 -24.84 59.53 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.749 1.389 . . . . 6.0 114.749 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -72.34 -55.12 7.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.253 1.388 . . . . 6.0 110.652 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -59.19 -31.26 68.85 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.986 1.314 . . . . 6.0 112.689 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.42 -14.09 61.67 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.193 1.397 . . . . 6.0 114.409 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -131.35 -31.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.9 t -68.77 138.88 55.19 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.557 1.071 . . . . 6.0 113.479 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 65.6 p -132.14 -3.12 3.53 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.68 1.992 . . . . 6.0 112.819 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -60.94 106.45 0.58 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.894 2.477 . . . . 6.0 110.869 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -64.9 -1.83 2.25 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.664 1.727 . . . . 6.0 115.664 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.25 17.38 4.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.305 1.442 . . . . 6.0 112.756 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 26.3 t -58.28 125.85 76.48 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.551 1.54 . . . . 6.0 109.986 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -40.62 56.66 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.295 2.664 . . . . 6.0 113.223 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 52.5 t -88.75 -49.17 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 117.07 -1.443 . . . . 6.0 112.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.568 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 37.0 m -71.42 -25.75 62.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 121.854 2.115 . . . . 6.0 115.631 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -39.26 -55.26 3.19 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 121.042 1.746 . . . . 6.0 114.885 -175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.98 -36.14 90.86 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.338 2.025 . . . . 6.0 113.451 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.76 -40.75 72.48 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.424 1.465 . . . . 6.0 111.198 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.568 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.1 mttt -64.61 -30.99 72.02 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.109 1.364 . . . . 6.0 109.531 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -73.37 -46.7 47.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.776 0.83 . . . . 6.0 109.846 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 126.035 1.734 . . . . 6.0 114.228 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.954 0.724 . . . . 6.0 112.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.52 162.03 25.78 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.786 2.324 . . . . 6.0 113.495 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.11 97.18 0.36 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.942 1.697 . . . . 6.0 114.292 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.3 tt -44.72 126.13 5.06 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 127.431 2.292 . . . . 6.0 111.5 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -52.46 125.95 19.26 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.409 2.739 . . . . 6.0 113.986 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -54.9 -33.8 62.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.787 1.235 . . . . 6.0 114.108 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.66 -28.24 67.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.131 -0.981 . . . . 6.0 112.001 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.11 -24.0 21.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.691 1.197 . . . . 6.0 112.832 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -52.76 -41.73 64.33 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 120.032 1.287 . . . . 6.0 111.77 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -69.38 -13.85 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.881 1.672 . . . . 6.0 114.556 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 31.6 mt -70.24 130.62 42.5 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.547 1.067 . . . . 6.0 111.128 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -71.14 105.75 3.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.694 0.798 . . . . 6.0 110.157 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.74 -9.02 53.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.051 1.34 . . . . 6.0 114.359 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.81 -46.2 99.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.249 1.386 . . . . 6.0 113.845 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.63 -23.63 26.64 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 121.844 1.696 . . . . 6.0 111.356 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.5 mtt -68.41 -16.79 64.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.356 1.062 . . . . 6.0 113.155 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.05 -24.45 6.74 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.339 1.237 . . . . 6.0 114.339 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.8 pt -63.56 -30.15 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 119.172 0.897 . . . . 6.0 112.174 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -83.7 -12.68 55.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.776 1.631 . . . . 6.0 114.519 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -48.17 -28.23 2.85 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.063 1.875 . . . . 6.0 116.063 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -134.07 35.21 3.29 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.553 1.069 . . . . 6.0 112.112 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -135.13 19.77 3.43 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.33 1.974 . . . . 6.0 116.33 -172.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.66 156.03 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.22 0.918 . . . . 6.0 112.686 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -123.85 86.43 2.57 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.54 2.336 . . . . 6.0 108.863 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -48.7 -36.59 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.89 1.276 . . . . 6.0 112.908 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.9 mt-10 -92.62 -20.01 21.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.315 1.968 . . . . 6.0 116.315 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -99.53 -18.0 17.61 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.758 1.392 . . . . 6.0 114.758 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -42.68 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.633 1.173 . . . . 6.0 111.869 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.9 tpp . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 126.159 1.784 . . . . 6.0 114.771 -172.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 CA--C 1.554 1.112 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.15 -43.05 26.16 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.882 3.722 . . . . 6.0 114.919 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.54 -48.01 65.41 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.708 0.803 . . . . 6.0 111.804 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.36 -46.38 88.92 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.753 -0.592 . . . . 6.0 110.653 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -50.65 -45.67 58.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.483 1.513 . . . . 6.0 110.515 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -61.67 -44.95 95.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.106 0.963 . . . . 6.0 111.746 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.27 -51.43 69.82 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.692 1.367 . . . . 6.0 114.692 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -41.06 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 120.248 1.386 . . . . 6.0 110.999 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.22 -45.9 79.72 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.553 1.07 . . . . 6.0 112.124 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.18 -47.29 80.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.11 0.964 . . . . 6.0 112.089 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.17 -43.68 97.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.885 1.221 . . . . 6.0 110.696 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -53.42 56.91 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.541 0.736 . . . . 6.0 110.622 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.65 -39.06 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 113.33 0.863 . . . . 6.0 113.33 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.15 -40.24 89.14 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.294 0.952 . . . . 6.0 110.91 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.0 -45.78 84.17 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.896 0.478 . . . . 6.0 110.115 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.81 -35.16 70.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 6.0 112.541 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -69.8 -58.45 3.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.788 0.722 . . . . 6.0 109.887 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.97 64.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.281 . . . . 6.0 113.974 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -53.38 6.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.641 1.976 . . . . 6.0 112.388 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.14 -29.75 18.09 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.517 1.127 . . . . 6.0 112.291 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.13 -37.19 79.31 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.263 1.03 . . . . 6.0 111.285 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 125.696 1.598 . . . . 6.0 112.042 173.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.665 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 CA-C-O 119.243 -0.408 . . . . 6.0 111.929 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.665 ' HD2' HD13 ' A' ' 381' ' ' LEU . 71.1 Cg_exo -47.02 -27.65 6.28 Favored 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 125.591 4.194 . . . . 6.0 118.392 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.3 22.23 5.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.232 1.413 . . . . 6.0 113.978 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.76 -50.74 69.59 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.288 -0.882 . . . . 6.0 112.319 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -27.14 66.66 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.676 -1.265 . . . . 6.0 113.4 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -63.3 -50.18 71.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.608 1.563 . . . . 6.0 108.535 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.29 -44.44 83.51 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.376 1.071 . . . . 6.0 112.253 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.51 -43.72 84.45 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 119.277 0.944 . . . . 6.0 111.929 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -65.42 -41.32 93.69 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.526 0.73 . . . . 6.0 111.56 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 13.4 t -64.43 -45.65 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.112 0.965 . . . . 6.0 110.69 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.63 -47.39 78.72 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 6.0 111.883 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.56 -42.8 83.75 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.929 -0.482 . . . . 6.0 110.988 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -60.74 -53.48 56.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.648 0.779 . . . . 6.0 110.531 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.1 mtp -52.66 -38.9 61.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.741 1.616 . . . . 6.0 112.954 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.018 1.327 . . . . 6.0 113.54 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 121.78 0.8 . . . . 6.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.2 61.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.976 1.472 . . . . 6.0 114.976 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.22 -20.55 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.27 1.211 . . . . 6.0 114.27 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.07 -65.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.177 1.353 . . . . 6.0 112.576 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.82 79.07 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.264 0.838 . . . . 6.0 113.264 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.443 ' HA ' HD22 ' B' ' 798' ' ' LEU . 20.7 p -65.6 -51.89 56.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.051 0.387 . . . . 6.0 110.643 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.0 m -52.67 -47.53 67.09 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.689 1.196 . . . . 6.0 112.361 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -55.3 -28.37 53.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.978 1.311 . . . . 6.0 113.321 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -90.17 -44.74 9.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.58 1.152 . . . . 6.0 112.044 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.47 -43.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.414 1.486 . . . . 6.0 114.095 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.53 -48.07 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.406 1.482 . . . . 6.0 109.969 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.1 m -56.75 -24.31 49.05 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.317 1.599 . . . . 6.0 115.317 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -67.47 -56.43 9.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.28 1.4 . . . . 6.0 109.71 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -58.25 -37.39 74.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.711 1.204 . . . . 6.0 112.774 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -61.01 -15.66 34.46 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.619 1.34 . . . . 6.0 114.619 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -128.78 -27.75 2.53 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.026 1.862 . . . . 6.0 116.026 -174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.3 t -66.1 142.38 57.79 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.835 1.198 . . . . 6.0 113.216 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.7 p -130.42 -7.13 4.21 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.335 1.854 . . . . 6.0 113.203 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -63.23 104.76 0.63 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.119 2.568 . . . . 6.0 111.091 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -63.92 -1.56 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.86 1.8 . . . . 6.0 115.86 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -132.87 20.14 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.624 1.57 . . . . 6.0 112.246 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.8 t -55.9 128.17 69.98 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.757 1.623 . . . . 6.0 111.428 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.93 -27.76 36.71 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.932 2.421 . . . . 6.0 114.929 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.33 -47.46 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 116.862 -1.542 . . . . 6.0 111.082 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.524 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 21.9 m -69.67 -24.05 63.55 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.596 1.998 . . . . 6.0 114.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.5 tp -40.4 -55.76 4.01 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-N 121.909 2.141 . . . . 6.0 114.728 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.84 -41.37 76.19 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 121.996 1.797 . . . . 6.0 113.057 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.96 -39.73 87.31 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.264 1.393 . . . . 6.0 112.059 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.524 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.2 mttt -63.81 -40.57 96.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.701 1.2 . . . . 6.0 109.04 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.59 -44.99 80.7 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.203 1.001 . . . . 6.0 111.119 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 127.456 2.302 . . . . 6.0 114.296 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 108.055 -1.091 . . . . 6.0 108.055 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.33 157.79 20.76 Favored 'Trans proline' 0 CA--C 1.548 1.211 0 C-N-CA 123.491 2.794 . . . . 6.0 112.835 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -70.22 101.96 2.0 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.938 1.295 . . . . 6.0 114.005 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -34.92 127.16 0.52 Allowed Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 129.343 3.057 . . . . 6.0 112.9 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.2 129.43 33.4 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.065 2.51 . . . . 6.0 114.267 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -47.94 -42.83 28.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.304 1.841 . . . . 6.0 114.903 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.79 -27.71 66.98 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.799 0.839 . . . . 6.0 113.037 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.04 -26.16 20.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.424 1.09 . . . . 6.0 112.804 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.94 -36.34 65.18 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.905 1.229 . . . . 6.0 111.905 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.79 -11.46 60.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.467 1.507 . . . . 6.0 114.724 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.6 mt -70.42 135.66 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.806 1.184 . . . . 6.0 110.898 177.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -73.3 108.41 6.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.643 -0.503 . . . . 6.0 109.643 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.6 p -90.71 -9.14 47.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.954 1.301 . . . . 6.0 114.406 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.67 -45.62 99.63 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.399 1.454 . . . . 6.0 112.995 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -61.95 -34.17 81.85 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.545 2.164 . . . . 6.0 112.214 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.7 -16.81 63.43 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.398 1.079 . . . . 6.0 113.664 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.84 -22.92 16.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.308 1.225 . . . . 6.0 114.308 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.46 -28.46 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.329 0.968 . . . . 6.0 111.71 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.75 -11.93 49.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.106 1.763 . . . . 6.0 114.221 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -48.11 -27.32 2.27 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.797 2.147 . . . . 6.0 116.797 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.03 31.18 3.28 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.606 1.562 . . . . 6.0 112.425 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.2 m -128.86 17.3 6.25 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.887 1.81 . . . . 6.0 115.887 -173.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.77 149.91 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.074 0.852 . . . . 6.0 112.536 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -119.14 86.51 2.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.956 2.102 . . . . 6.0 106.878 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.3 mt -38.62 -47.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.568 1.947 . . . . 6.0 113.038 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 4.2 mp0 -88.03 -20.08 26.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 116.506 2.039 . . . . 6.0 116.506 -174.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -86.15 -25.77 25.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -42.36 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.589 1.956 . . . . 6.0 113.495 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 51.3 mmm . . . . . 0 CA--C 1.55 0.976 0 C-N-CA 128.071 2.549 . . . . 6.0 116.946 -169.633 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 CA--C 1.552 1.053 0 CA-C-O 118.655 -0.688 . . . . 6.0 112.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -54.16 -42.04 70.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.398 2.732 . . . . 6.0 114.599 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -43.3 67.22 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.684 -0.635 . . . . 6.0 111.997 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -62.41 -46.13 90.0 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.844 0.747 . . . . 6.0 109.588 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 34.2 ttp85 -50.08 -47.12 53.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.445 1.498 . . . . 6.0 110.611 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -66.02 -33.65 76.29 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.659 1.184 . . . . 6.0 113.754 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.23 -50.95 62.05 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.541 1.519 . . . . 6.0 112.776 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.49 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.955 1.252 . . . . 6.0 110.923 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.87 -47.27 80.84 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.601 1.092 . . . . 6.0 111.638 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.05 -43.69 74.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 117.949 -1.024 . . . . 6.0 113.587 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.36 -45.16 94.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.39 1.45 . . . . 6.0 110.463 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 53.7 tp -53.63 -51.49 62.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.415 1.086 . . . . 6.0 111.481 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.488 HG21 HG23 ' B' ' 812' ' ' ILE . 28.0 t -65.35 -40.53 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.72 0.637 . . . . 6.0 112.72 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -59.03 -41.01 86.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.546 0.612 . . . . 6.0 111.657 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.79 -47.67 79.97 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.867 0.758 . . . . 6.0 110.843 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.52 -39.39 76.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.578 0.751 . . . . 6.0 111.908 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -64.46 -58.32 6.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.452 0.569 . . . . 6.0 110.12 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.43 65.06 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.694 1.368 . . . . 6.0 114.694 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -54.51 -43.33 71.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.476 1.11 . . . . 6.0 111.94 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -88.9 -34.27 17.01 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.233 1.413 . . . . 6.0 111.584 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -61.59 -37.22 83.1 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.001 0.819 . . . . 6.0 112.155 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 CA--C 1.544 0.72 0 O-C-N 120.556 -1.34 . . . . 6.0 111.06 173.598 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.741 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.556 1.178 0 N-CA-C 108.18 -1.045 . . . . 6.0 108.18 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.741 ' HD2' HD13 ' A' ' 381' ' ' LEU . 13.7 Cg_exo -39.63 -30.55 0.34 Allowed 'Trans proline' 0 CA--C 1.54 0.8 1 C-N-CA 125.831 4.354 . . . . 6.0 119.299 -177.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.16 22.07 4.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.794 1.237 . . . . 6.0 113.189 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.16 -50.34 67.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.892 0.877 . . . . 6.0 110.929 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -36.38 76.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.287 1.035 . . . . 6.0 112.781 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 89.4 m -64.02 -49.38 72.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.404 1.082 . . . . 6.0 109.714 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.6 mmt -64.57 -46.03 84.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.217 0.607 . . . . 6.0 111.399 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.289 1.036 . . . . 6.0 111.517 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -63.74 -45.48 89.67 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.745 0.818 . . . . 6.0 111.337 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.8 -39.1 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.346 1.059 . . . . 6.0 111.61 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.7 -45.65 67.77 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.673 1.589 . . . . 6.0 112.128 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -64.5 -37.18 86.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.193 0.197 . . . . 6.0 110.676 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.81 -49.69 76.47 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.621 -0.674 . . . . 6.0 109.213 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 68.0 mtp -51.72 -39.61 58.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.356 1.463 . . . . 6.0 111.952 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 108.837 -0.801 . . . . 6.0 108.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.86 29.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.062 1.875 . . . . 6.0 116.062 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -90.08 -25.01 20.98 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.316 1.228 . . . . 6.0 114.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 40.1 t -59.58 -65.35 0.69 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.482 1.513 . . . . 6.0 113.378 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.17 69.46 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.627 -0.671 . . . . 6.0 112.465 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.45 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.1 m -67.65 -47.63 68.98 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.992 -0.443 . . . . 6.0 111.37 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -57.5 -45.7 84.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.256 1.423 . . . . 6.0 111.541 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -50.65 -43.57 57.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.123 0.969 . . . . 6.0 112.393 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -79.11 -43.61 23.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.767 0.827 . . . . 6.0 111.976 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -56.12 -44.44 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.153 0.981 . . . . 6.0 112.407 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 415' ' ' ILE . 74.8 mt -54.2 -58.28 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.552 1.141 . . . . 6.0 110.103 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -54.18 -27.2 32.41 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.77 -63.36 1.08 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.091 0.86 . . . . 6.0 110.688 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -56.01 -41.01 74.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.236 1.014 . . . . 6.0 112.938 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -65.15 -9.88 26.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.504 1.522 . . . . 6.0 114.303 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -130.54 -27.35 2.17 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.848 1.796 . . . . 6.0 115.848 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.87 113.05 2.83 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.06 1.3 . . . . 6.0 112.902 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.9 p -90.75 -9.81 45.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.958 1.303 . . . . 6.0 113.632 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.406 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 65.9 mtm180 -62.74 116.24 5.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 6.0 112.996 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.2 -4.26 20.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.548 0.739 . . . . 6.0 112.805 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.2 14.73 7.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.671 1.588 . . . . 6.0 114.163 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . 0.406 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 17.0 t -56.7 130.56 77.75 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.325 1.05 . . . . 6.0 111.961 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -57.5 -19.4 36.28 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.456 2.771 . . . . 6.0 115.343 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.26 -39.22 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.791 1.178 . . . . 6.0 111.372 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 78.6 m -74.71 -28.01 60.62 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.596 1.544 . . . . 6.0 113.985 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.3 tp -41.14 -54.95 5.38 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 121.225 1.83 . . . . 6.0 115.144 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -59.84 -32.62 95.66 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 CA-C-N 121.735 1.656 . . . . 6.0 113.042 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -38.78 61.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.284 1.402 . . . . 6.0 111.589 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -63.29 -31.41 72.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.91 1.284 . . . . 6.0 109.696 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -71.43 -55.75 7.3 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.453 -0.943 . . . . 6.0 108.453 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 126.286 1.834 . . . . 6.0 115.045 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 120.949 0.404 . . . . 6.0 111.912 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.78 156.75 41.39 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.026 2.484 . . . . 6.0 111.015 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.53 100.27 2.21 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.04 1.126 . . . . 6.0 114.04 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -33.49 126.72 0.43 Allowed Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 129.862 3.265 . . . . 6.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -56.16 129.88 37.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.825 2.35 . . . . 6.0 114.169 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -50.12 -41.75 49.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.764 1.626 . . . . 6.0 115.25 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -66.87 -24.58 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.27 -0.893 . . . . 6.0 113.003 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.13 -25.15 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.418 1.087 . . . . 6.0 112.603 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.05 -37.53 71.93 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 120.176 1.353 . . . . 6.0 111.519 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.85 -14.9 62.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.609 1.564 . . . . 6.0 114.254 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.0 mt -70.06 137.27 51.1 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.606 1.094 . . . . 6.0 111.22 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -73.26 103.75 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.57 0.748 . . . . 6.0 109.753 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.4 p -86.06 -9.71 56.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.671 1.188 . . . . 6.0 113.698 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.12 -49.32 94.65 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 120.217 1.372 . . . . 6.0 114.107 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.23 -23.68 28.37 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-N 121.57 1.596 . . . . 6.0 111.052 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.98 -16.93 64.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.455 1.102 . . . . 6.0 113.283 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.07 -18.51 5.48 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.064 1.505 . . . . 6.0 115.064 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 17.8 pt -67.91 -32.7 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 119.077 0.853 . . . . 6.0 111.391 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.51 -15.53 56.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.118 1.767 . . . . 6.0 114.394 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -27.86 0.21 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 117.875 2.546 . . . . 6.0 117.875 -172.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 35.25 1.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.294 1.438 . . . . 6.0 112.053 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.0 m -128.37 19.01 6.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.457 1.651 . . . . 6.0 115.457 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.63 155.16 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 6.0 111.852 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -122.95 86.16 2.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.569 1.947 . . . . 6.0 107.827 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.488 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.84 -42.41 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.72 1.608 . . . . 6.0 112.93 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.64 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 66.7 mt-10 -85.16 -19.98 30.95 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.557 1.688 . . . . 6.0 115.557 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.3 -19.69 21.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.518 1.508 . . . . 6.0 114.884 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -42.87 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.16 0.984 . . . . 6.0 111.866 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . 0.447 ' HB2' ' HB1' ' A' ' 435' ' ' ALA . 3.8 tpp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.372 1.069 . . . . 6.0 113.812 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 119.326 -0.368 . . . . 6.0 110.432 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.93 -29.58 27.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.718 3.612 . . . . 6.0 117.294 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.92 -47.78 8.3 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.514 1.052 . . . . 6.0 112.017 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -38.27 89.44 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.974 -0.454 . . . . 6.0 110.582 176.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.45 -44.99 81.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.425 1.49 . . . . 6.0 112.088 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.0 -39.54 95.09 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.012 0.823 . . . . 6.0 111.803 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.28 -49.06 78.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.004 1.112 . . . . 6.0 114.004 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -40.82 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.033 1.288 . . . . 6.0 110.94 175.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -57.43 -44.89 85.07 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.674 1.125 . . . . 6.0 112.682 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -65.95 -49.15 68.93 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.655 1.182 . . . . 6.0 111.769 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.49 -44.94 95.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.171 1.35 . . . . 6.0 110.512 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.11 -54.38 36.49 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.096 0.959 . . . . 6.0 111.613 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.443 HG21 HG23 ' B' ' 812' ' ' ILE . 25.1 t -64.21 -38.95 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.863 0.69 . . . . 6.0 112.863 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.05 -38.85 80.34 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.878 0.763 . . . . 6.0 111.328 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.5 -46.78 75.09 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.768 0.713 . . . . 6.0 111.28 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.27 -35.6 69.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.101 0.96 . . . . 6.0 111.347 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -71.17 -60.18 2.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.183 0.593 . . . . 6.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.66 -34.51 58.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.18 -58.75 7.28 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.32 1.418 . . . . 6.0 111.308 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -66.09 -32.79 74.46 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.678 -0.639 . . . . 6.0 111.724 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . 0.404 ' CB ' ' HZ1' ' A' ' 388' ' ' LYS . 37.4 t -63.62 -39.97 95.71 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.568 0.747 . . . . 6.0 111.749 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 CA--C 1.543 0.706 0 O-C-N 120.695 -1.253 . . . . 6.0 110.031 174.633 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.636 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 119.116 -0.469 . . . . 6.0 111.2 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.636 ' HD2' HD13 ' A' ' 381' ' ' LEU . 58.6 Cg_exo -45.94 -30.59 7.24 Favored 'Trans proline' 0 CA--C 1.541 0.854 1 C-N-CA 125.49 4.127 . . . . 6.0 118.608 -178.153 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.45 23.5 5.13 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.98 1.312 . . . . 6.0 112.801 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . 0.446 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.47 -46.32 69.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.126 1.37 . . . . 6.0 110.989 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -34.41 77.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.044 1.337 . . . . 6.0 113.289 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.9 m -62.27 -48.1 81.4 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.821 1.248 . . . . 6.0 108.903 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -65.09 -46.45 81.06 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.709 0.803 . . . . 6.0 111.916 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 56.7 mttp -53.52 -41.53 66.45 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 119.933 1.242 . . . . 6.0 112.384 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -66.0 -46.89 76.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.775 0.83 . . . . 6.0 111.71 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.39 -39.75 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.383 1.073 . . . . 6.0 111.514 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.3 mt -66.77 -49.97 64.21 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.089 1.756 . . . . 6.0 111.952 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -59.53 -42.08 91.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.78 -0.575 . . . . 6.0 110.846 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -59.23 -53.06 62.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.571 0.748 . . . . 6.0 110.432 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -35.72 47.92 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.949 1.7 . . . . 6.0 113.995 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.135 0.974 . . . . 6.0 113.082 -179.813 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 107.825 -1.176 . . . . 6.0 107.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.99 17.42 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.745 1.758 . . . . 6.0 115.745 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.02 -14.77 33.23 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.659 1.355 . . . . 6.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.86 -65.36 0.73 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.208 1.367 . . . . 6.0 111.442 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.94 -33.47 62.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.977 0.732 . . . . 6.0 112.977 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.2 p -70.51 -53.76 14.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.108 -0.472 . . . . 6.0 110.995 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 70.4 m -51.96 -46.95 64.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.169 0.988 . . . . 6.0 112.816 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -52.78 -34.57 53.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.637 1.975 . . . . 6.0 113.22 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -90.0 -42.43 11.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.963 1.305 . . . . 6.0 112.626 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.82 -45.41 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.898 1.279 . . . . 6.0 112.808 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.53 -51.3 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.426 1.49 . . . . 6.0 111.126 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.3 m -56.57 -31.0 63.8 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.856 1.428 . . . . 6.0 114.856 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -63.21 -57.5 10.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.162 0.892 . . . . 6.0 110.705 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -56.74 -32.62 65.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.352 1.461 . . . . 6.0 112.986 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -71.71 -9.95 59.04 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.861 1.43 . . . . 6.0 114.861 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -127.78 -29.57 2.59 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.19 1.552 . . . . 6.0 115.19 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.7 t -68.64 140.29 55.49 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.465 1.029 . . . . 6.0 112.779 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 59.8 p -132.0 -7.19 3.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.887 1.675 . . . . 6.0 113.419 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.65 116.78 6.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.612 1.565 . . . . 6.0 110.087 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.28 -22.59 66.3 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.801 0.667 . . . . 6.0 112.801 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -102.91 13.91 33.21 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.88 1.067 . . . . 6.0 113.88 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.74 126.2 79.49 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 105.33 -2.1 . . . . 6.0 105.33 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.73 -39.16 35.83 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.775 1.65 . . . . 6.0 111.281 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.78 -52.13 18.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.591 1.156 . . . . 6.0 110.938 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.671 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.8 m -69.77 -31.47 69.43 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.744 1.757 . . . . 6.0 115.744 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 59.4 tp -41.25 -53.3 6.85 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 120.8 1.636 . . . . 6.0 115.32 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.05 -38.26 88.39 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 CA-C-N 122.32 1.864 . . . . 6.0 113.124 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.35 -42.06 72.34 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.38 1.445 . . . . 6.0 111.519 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.671 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 36.3 mttt -61.63 -36.4 80.67 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.781 1.232 . . . . 6.0 109.427 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -69.56 -48.17 61.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.85 0.86 . . . . 6.0 110.442 172.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 126.941 2.096 . . . . 6.0 114.197 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 114.873 1.434 . . . . 6.0 114.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 160.28 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.768 2.312 . . . . 6.0 113.227 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.68 113.48 3.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.902 1.681 . . . . 6.0 113.692 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.28 126.61 78.87 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 125.858 1.663 . . . . 6.0 110.567 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -56.27 128.01 28.37 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.451 2.101 . . . . 6.0 113.445 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -48.41 -45.22 35.77 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.587 1.555 . . . . 6.0 114.354 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.06 -24.02 67.34 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.672 0.989 . . . . 6.0 113.672 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.2 -24.16 21.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.262 1.025 . . . . 6.0 113.103 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -56.06 -39.59 72.26 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 120.254 1.388 . . . . 6.0 111.702 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.26 -16.01 64.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.415 1.486 . . . . 6.0 114.497 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 34.5 mt -68.74 128.14 35.6 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.559 1.072 . . . . 6.0 110.857 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -69.98 104.6 2.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.613 0.765 . . . . 6.0 110.118 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.56 -10.3 57.53 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.61 -49.92 88.49 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.495 1.498 . . . . 6.0 114.354 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.4 -22.57 28.99 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 CA-C-N 121.418 1.542 . . . . 6.0 111.818 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 30.9 mtt -67.43 -16.67 64.36 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.382 1.073 . . . . 6.0 113.108 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.79 -22.17 8.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.809 1.411 . . . . 6.0 114.809 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 29.8 pt -62.56 -30.93 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 119.389 0.995 . . . . 6.0 111.672 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -84.78 -10.18 57.46 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.413 1.885 . . . . 6.0 114.334 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -48.63 -22.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 117.31 2.337 . . . . 6.0 117.31 -173.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.07 33.87 1.36 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.151 1.38 . . . . 6.0 112.377 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -131.66 22.39 4.66 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.341 1.978 . . . . 6.0 116.341 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -142.08 151.36 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.214 0.915 . . . . 6.0 113.029 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -116.85 82.89 1.88 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.043 2.137 . . . . 6.0 108.856 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -49.05 -36.03 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.963 1.305 . . . . 6.0 112.459 -174.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.8 mt-10 -93.42 -19.78 20.96 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.476 2.028 . . . . 6.0 116.476 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -99.1 -17.98 17.94 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.224 1.374 . . . . 6.0 114.392 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.509 1.123 . . . . 6.0 111.479 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 20.3 tpp . . . . . 0 CA--C 1.548 0.892 0 C-N-CA 126.024 1.73 . . . . 6.0 114.33 -173.796 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 CA--C 1.555 1.157 0 N-CA-C 115.646 1.721 . . . . 6.0 115.646 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.47 -41.04 23.41 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.96 3.773 . . . . 6.0 115.977 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.65 -47.92 36.3 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.351 -0.843 . . . . 6.0 112.0 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -40.99 95.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.711 -0.618 . . . . 6.0 109.886 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -54.78 -46.22 74.4 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.89 1.676 . . . . 6.0 110.755 173.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -63.87 -33.59 76.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.173 0.989 . . . . 6.0 112.362 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.04 -46.97 72.81 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.63 1.104 . . . . 6.0 113.563 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.39 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.5 1.5 . . . . 6.0 111.056 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.42 -48.32 71.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.371 0.987 . . . . 6.0 112.531 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -67.04 -42.53 84.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.176 -0.916 . . . . 6.0 112.748 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.909 1.232 . . . . 6.0 110.758 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.57 -57.01 12.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.877 0.871 . . . . 6.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.405 HG21 HG23 ' B' ' 812' ' ' ILE . 33.3 t -59.71 -40.72 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 381' ' ' LEU . 11.3 mt -59.98 -39.27 85.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.94 0.791 . . . . 6.0 111.736 176.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.45 -45.39 83.98 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.067 0.849 . . . . 6.0 110.688 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.18 -44.46 75.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.454 0.702 . . . . 6.0 111.342 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.39 -58.82 5.38 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.788 0.435 . . . . 6.0 110.471 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.19 -38.08 56.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.57 1.693 . . . . 6.0 115.57 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.4 -59.89 4.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.839 1.199 . . . . 6.0 111.12 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -68.58 -32.11 71.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.831 -0.604 . . . . 6.0 111.959 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.7 t -61.78 -40.12 94.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.859 0.754 . . . . 6.0 111.044 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? . . . . . 0 CA--C 1.538 0.516 0 O-C-N 120.854 -1.154 . . . . 6.0 109.474 173.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.652 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.026 0 CA-C-O 118.996 -0.525 . . . . 6.0 111.291 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.652 ' HD2' HD13 ' A' ' 381' ' ' LEU . 39.7 Cg_exo -43.29 -30.34 2.24 Favored 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.039 4.493 . . . . 6.0 118.269 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -131.19 21.26 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.721 1.208 . . . . 6.0 113.711 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 -47.69 65.42 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.377 -0.827 . . . . 6.0 111.652 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -34.83 75.21 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.565 1.146 . . . . 6.0 113.057 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.3 m -64.7 -50.59 66.35 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.482 1.113 . . . . 6.0 108.907 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -45.21 87.08 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.082 0.953 . . . . 6.0 111.133 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -56.22 -42.11 76.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.189 0.996 . . . . 6.0 112.03 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -65.52 -44.12 87.9 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.36 0.664 . . . . 6.0 111.704 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.99 -42.08 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.112 0.965 . . . . 6.0 110.965 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.52 -49.03 70.47 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.871 1.668 . . . . 6.0 112.163 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.83 -42.55 89.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.826 -0.547 . . . . 6.0 110.757 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -59.49 -53.81 53.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.541 0.737 . . . . 6.0 110.434 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 60.7 mtp -52.58 -35.27 53.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.122 1.769 . . . . 6.0 113.976 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 124.41 1.084 . . . . 6.0 113.272 -179.808 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.932 -1.136 . . . . 6.0 107.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.62 68.55 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.495 1.665 . . . . 6.0 115.495 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -82.99 -27.32 30.51 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.252 1.205 . . . . 6.0 114.252 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.08 -64.86 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.734 1.614 . . . . 6.0 113.005 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.63 78.2 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.89 0.7 . . . . 6.0 112.89 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.469 ' HA ' HD22 ' B' ' 798' ' ' LEU . 71.9 m -66.58 -45.32 79.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 122.129 -0.357 . . . . 6.0 111.565 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.9 m -59.39 -45.35 91.72 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.754 1.221 . . . . 6.0 111.722 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -39.09 33.98 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.988 1.715 . . . . 6.0 112.212 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -85.88 -41.58 14.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.72 1.208 . . . . 6.0 112.239 176.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -41.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.372 0.987 . . . . 6.0 112.555 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.31 -47.73 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.726 1.611 . . . . 6.0 110.45 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.1 t -54.74 -30.88 57.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.467 1.284 . . . . 6.0 114.467 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -68.49 -59.66 2.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.382 0.992 . . . . 6.0 111.964 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.91 -30.69 69.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.861 0.865 . . . . 6.0 112.392 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.89 -13.27 61.52 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.343 1.457 . . . . 6.0 114.383 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -134.16 -26.12 1.51 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.255 1.946 . . . . 6.0 116.255 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.0 t -64.47 149.66 48.1 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.868 1.213 . . . . 6.0 113.74 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 71.2 p -136.46 -3.49 2.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.541 1.936 . . . . 6.0 113.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -63.66 113.57 3.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.045 1.338 . . . . 6.0 111.97 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -68.49 -5.0 17.01 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.17 0.804 . . . . 6.0 113.17 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -128.55 15.95 6.5 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.402 1.881 . . . . 6.0 113.501 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.11 129.36 79.07 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.523 1.129 . . . . 6.0 109.225 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.09 -44.94 42.09 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.658 2.239 . . . . 6.0 111.635 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.44 -52.87 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.801 1.24 . . . . 6.0 112.001 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.479 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 33.6 m -70.13 -27.22 64.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -42.79 -53.27 10.14 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 120.917 1.689 . . . . 6.0 114.835 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.86 -35.75 98.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 CA-C-N 122.022 1.758 . . . . 6.0 113.353 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.21 -41.53 61.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.708 1.595 . . . . 6.0 111.732 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.479 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 45.5 mttt -63.99 -28.16 69.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.087 1.355 . . . . 6.0 110.353 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.3 -46.37 16.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.883 1.273 . . . . 6.0 109.849 171.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.552 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.469 0.523 0 C-N-CA 125.834 1.654 . . . . 6.0 113.056 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 CA--C 1.547 0.851 0 CA-C-O 118.991 -0.528 . . . . 6.0 111.845 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.41 154.88 33.03 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.206 2.604 . . . . 6.0 112.892 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.0 106.66 1.08 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.814 1.245 . . . . 6.0 112.766 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.23 127.17 29.04 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 127.36 2.264 . . . . 6.0 110.831 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -52.17 124.77 15.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.236 2.624 . . . . 6.0 113.54 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -51.04 -37.64 46.61 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.464 1.283 . . . . 6.0 114.464 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.08 -28.79 69.7 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.974 0.91 . . . . 6.0 112.408 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.09 -28.18 19.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.521 1.129 . . . . 6.0 112.939 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -56.27 -37.49 69.9 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 120.319 1.418 . . . . 6.0 111.882 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -70.45 -13.22 62.03 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.102 1.361 . . . . 6.0 114.277 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.1 mt -68.15 132.37 47.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.82 1.191 . . . . 6.0 111.009 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.37 103.55 3.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.759 0.823 . . . . 6.0 109.297 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -5.19 59.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.667 1.587 . . . . 6.0 115.154 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.74 -42.96 98.21 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 114.35 1.241 . . . . 6.0 114.35 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.2 -26.87 12.18 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 122.11 1.789 . . . . 6.0 111.128 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -17.53 63.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 6.0 112.861 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -50.56 -24.33 3.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.601 1.334 . . . . 6.0 114.601 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.7 pt -68.91 -29.3 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 118.959 0.8 . . . . 6.0 112.348 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -83.53 -10.91 58.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.276 1.83 . . . . 6.0 114.038 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.38 -27.0 0.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.138 2.644 . . . . 6.0 118.138 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -147.8 37.44 0.89 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.434 1.015 . . . . 6.0 111.687 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.7 m -123.5 21.79 9.32 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.996 1.318 . . . . 6.0 114.068 -174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.9 t -143.6 153.96 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.477 1.111 . . . . 6.0 111.423 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -118.72 85.93 2.45 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.225 1.81 . . . . 6.0 107.65 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.7 -36.41 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.735 1.214 . . . . 6.0 111.885 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.0 mt-10 -90.51 -19.98 23.19 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.282 1.956 . . . . 6.0 116.282 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -98.91 -17.51 18.33 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.536 1.516 . . . . 6.0 114.992 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -39.78 85.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 6.0 110.738 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 125.341 1.456 . . . . 6.0 113.092 -177.336 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 CA--C 1.555 1.165 0 N-CA-C 113.581 0.956 . . . . 6.0 113.581 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.88 -42.64 65.0 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.031 3.154 . . . . 6.0 115.999 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.43 -47.36 67.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.289 -0.882 . . . . 6.0 111.435 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -41.34 98.73 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.851 0.46 . . . . 6.0 110.36 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -54.8 -47.62 73.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.063 1.345 . . . . 6.0 110.863 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.466 1.106 . . . . 6.0 112.431 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.01 -47.49 61.91 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.958 1.096 . . . . 6.0 113.958 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -39.0 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 120.368 1.44 . . . . 6.0 110.459 174.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.38 -48.17 77.43 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.131 0.878 . . . . 6.0 112.867 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -68.09 -44.22 76.74 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.18 -0.914 . . . . 6.0 112.462 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.87 -45.78 90.94 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.838 1.199 . . . . 6.0 110.597 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.63 -58.47 6.27 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.199 0.999 . . . . 6.0 110.663 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.458 HG21 HG23 ' B' ' 812' ' ' ILE . 25.9 t -60.23 -40.05 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 113.398 0.888 . . . . 6.0 113.398 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.453 HD21 HD12 ' A' ' 381' ' ' LEU . 11.1 mt -58.72 -38.06 77.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.794 0.725 . . . . 6.0 111.61 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.11 -44.51 79.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.635 0.652 . . . . 6.0 110.541 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.63 -44.02 76.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.708 0.403 . . . . 6.0 110.924 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -64.63 -57.48 8.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.929 0.491 . . . . 6.0 111.069 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.44 -37.12 62.28 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.073 1.138 . . . . 6.0 114.073 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -55.98 -54.06 49.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.515 0.726 . . . . 6.0 111.05 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -71.47 -35.46 70.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.511 0.724 . . . . 6.0 111.707 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 10.1 t -61.04 -39.74 90.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 119.615 1.098 . . . . 6.0 111.705 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? . . . . . 0 CA--C 1.547 0.841 0 O-C-N 120.937 -1.102 . . . . 6.0 110.678 174.257 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.554 1.098 0 CA-C-O 119.095 -0.479 . . . . 6.0 111.464 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 381' ' ' LEU . 44.4 Cg_exo -44.09 -30.67 3.49 Favored 'Trans proline' 0 CA--C 1.54 0.821 1 C-N-CA 126.039 4.493 . . . . 6.0 118.337 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -131.36 22.74 4.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.955 1.302 . . . . 6.0 113.027 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . 0.421 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.13 -48.56 67.81 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.202 -0.936 . . . . 6.0 112.298 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -33.94 73.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.994 0.918 . . . . 6.0 112.896 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 71.0 m -63.4 -50.06 71.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.704 1.201 . . . . 6.0 108.76 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -44.85 83.84 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 6.0 111.67 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . 0.421 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 44.5 mttp -55.9 -43.63 77.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.694 1.134 . . . . 6.0 111.626 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -65.01 -43.47 92.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.43 0.692 . . . . 6.0 111.809 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.26 -41.77 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.812 0.845 . . . . 6.0 110.655 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.41 -49.47 69.11 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.053 1.341 . . . . 6.0 111.959 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -62.02 -38.89 90.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.209 0.458 . . . . 6.0 111.675 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -59.73 -49.49 77.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.301 -0.629 . . . . 6.0 109.301 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.4 mtp -53.32 -38.17 62.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.033 1.333 . . . . 6.0 111.465 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 108.032 -1.099 . . . . 6.0 108.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.29 -41.84 60.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.334 1.605 . . . . 6.0 115.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -80.15 -29.45 38.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.976 1.102 . . . . 6.0 113.976 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.27 -65.08 0.67 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.177 1.391 . . . . 6.0 112.497 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.8 70.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.451 ' HA ' HD22 ' B' ' 798' ' ' LEU . 66.6 m -70.06 -44.75 68.49 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.993 -0.442 . . . . 6.0 111.729 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.6 m -59.92 -47.56 85.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.563 1.145 . . . . 6.0 111.43 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -49.04 -38.34 23.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.584 1.954 . . . . 6.0 112.325 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -82.54 -43.78 16.7 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.461 1.104 . . . . 6.0 112.152 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.2 tt -55.66 -45.71 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.817 1.247 . . . . 6.0 113.701 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 16.9 mt -57.34 -47.99 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.47 1.508 . . . . 6.0 111.486 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.1 m -56.18 -27.18 53.46 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.517 1.303 . . . . 6.0 114.517 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.38 -61.85 1.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.146 0.885 . . . . 6.0 110.829 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -55.66 -37.48 68.33 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.229 1.412 . . . . 6.0 113.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -65.68 -9.95 32.0 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.884 1.274 . . . . 6.0 114.055 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -133.44 -27.52 1.55 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.202 1.927 . . . . 6.0 116.202 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 17.8 t -64.73 147.08 53.81 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 120.165 1.348 . . . . 6.0 113.703 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.1 p -138.29 -6.03 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.333 1.853 . . . . 6.0 113.928 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.41 117.31 5.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.319 1.448 . . . . 6.0 111.073 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -67.9 -7.95 32.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -126.84 15.58 7.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.843 1.257 . . . . 6.0 113.256 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.3 t -56.53 125.66 67.5 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 107.137 -1.431 . . . . 6.0 107.137 173.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.78 -43.21 32.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.188 1.925 . . . . 6.0 112.0 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.19 -53.51 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.324 1.05 . . . . 6.0 111.048 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.545 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.5 m -68.45 -28.36 66.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.102 1.519 . . . . 6.0 115.102 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.0 tp -42.42 -54.11 8.36 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 121.308 1.867 . . . . 6.0 114.933 -174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.93 -35.82 97.94 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 CA-C-N 122.387 1.888 . . . . 6.0 113.368 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.15 -36.3 72.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.475 1.489 . . . . 6.0 111.284 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.545 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.0 mttt -71.36 -24.05 62.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.162 1.785 . . . . 6.0 110.321 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.1 -34.39 26.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.435 1.494 . . . . 6.0 110.08 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.694 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.548 0.879 0 C-N-CA 126.126 1.77 . . . . 6.0 107.489 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 CA--C 1.542 0.66 0 N-CA-C 109.32 -0.622 . . . . 6.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.62 161.15 10.32 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.69 2.26 . . . . 6.0 113.692 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -63.86 109.57 1.8 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.111 1.764 . . . . 6.0 113.721 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . 0.462 HD23 ' HD2' ' B' ' 792' ' ' PRO . 1.6 tt -57.54 123.53 62.71 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 126.138 1.775 . . . . 6.0 111.188 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . 0.462 ' HD2' HD23 ' B' ' 791' ' ' LEU . 11.2 Cg_endo -50.66 128.94 25.41 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.338 2.692 . . . . 6.0 113.343 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -54.13 -35.92 62.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.367 1.247 . . . . 6.0 114.367 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.8 -27.72 63.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.178 0.991 . . . . 6.0 112.658 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.17 -38.11 13.72 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . 0.411 ' HB3' HD22 ' B' ' 791' ' ' LEU . 13.8 ptt180 -60.74 -24.45 65.73 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.31 1.414 . . . . 6.0 112.772 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.64 -23.07 65.31 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.465 1.906 . . . . 6.0 113.186 174.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 410' ' ' SER . 53.7 mt -66.25 131.52 46.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.143 0.977 . . . . 6.0 110.71 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -73.2 114.14 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.345 -0.983 . . . . 6.0 108.345 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -1.03 57.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.125 1.77 . . . . 6.0 115.262 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.56 -45.56 99.66 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 120.22 1.373 . . . . 6.0 112.946 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -61.58 -37.23 71.35 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.236 1.958 . . . . 6.0 111.825 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -18.45 61.17 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.84 -24.56 16.07 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.27 1.395 . . . . 6.0 114.378 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 15.9 pt -64.62 -28.51 44.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 119.241 0.928 . . . . 6.0 111.77 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.06 -9.92 54.26 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.902 2.081 . . . . 6.0 114.179 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -43.0 -26.58 0.15 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 118.0 2.592 . . . . 6.0 118.0 -171.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -148.97 41.39 0.92 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.049 1.295 . . . . 6.0 111.868 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.5 m -125.56 22.46 7.62 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.701 1.371 . . . . 6.0 114.701 -174.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.3 t -143.35 155.04 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.174 0.99 . . . . 6.0 111.973 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -122.78 81.43 1.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.311 1.844 . . . . 6.0 109.04 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.22 -40.51 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.481 1.912 . . . . 6.0 113.055 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.694 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.5 mt-10 -87.31 -19.86 27.63 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.49 1.663 . . . . 6.0 115.49 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -97.69 -23.74 15.81 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.61 1.337 . . . . 6.0 114.61 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -42.92 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.72 1.208 . . . . 6.0 111.813 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 21.4 tpp . . . . . 0 CA--C 1.549 0.937 0 C-N-CA 126.205 1.802 . . . . 6.0 113.053 -175.537 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 CA--C 1.555 1.139 0 N-CA-C 115.662 1.727 . . . . 6.0 115.662 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.97 -38.95 32.25 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.856 3.704 . . . . 6.0 115.57 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.28 -50.87 50.69 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.832 0.853 . . . . 6.0 111.197 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -62.03 -44.88 95.76 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.064 0.945 . . . . 6.0 111.085 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -50.89 -42.77 59.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.406 1.482 . . . . 6.0 111.371 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.51 -40.89 89.43 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.676 0.671 . . . . 6.0 112.413 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 807' ' ' ARG . 62.7 mt -58.89 -50.11 75.25 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.942 1.09 . . . . 6.0 113.942 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -41.99 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 120.043 1.292 . . . . 6.0 111.038 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.84 -47.41 74.17 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.58 1.082 . . . . 6.0 112.26 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.85 -47.05 82.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.651 1.18 . . . . 6.0 111.994 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.92 -43.43 95.94 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.741 1.155 . . . . 6.0 111.31 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.56 -55.79 27.86 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.683 0.793 . . . . 6.0 110.325 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.1 -39.62 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.951 0.722 . . . . 6.0 112.951 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 381' ' ' LEU . 13.8 mt -59.98 -40.95 90.88 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.811 0.732 . . . . 6.0 111.502 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.931 0.787 . . . . 6.0 110.377 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.74 -44.77 77.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.05 0.54 . . . . 6.0 111.339 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -62.59 -59.98 4.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.761 0.424 . . . . 6.0 110.337 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.29 -40.43 61.79 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.255 1.576 . . . . 6.0 115.255 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.91 -51.88 67.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.893 0.77 . . . . 6.0 111.754 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -69.92 -33.42 72.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.323 0.649 . . . . 6.0 111.443 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.62 -33.95 77.14 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.532 -0.73 . . . . 6.0 111.238 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 CA--C 1.548 0.892 0 O-C-N 119.973 -1.704 . . . . 6.0 109.603 174.408 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.634 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER . . . . . 0 CA--C 1.552 1.035 0 N-CA-C 112.382 0.512 . . . . 6.0 112.382 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 381' ' ' LEU . 75.9 Cg_exo -46.15 -32.67 10.52 Favored 'Trans proline' 0 C--N 1.354 0.834 1 C-N-CA 125.696 4.264 . . . . 6.0 117.224 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -123.77 18.86 9.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.174 1.39 . . . . 6.0 113.89 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.82 -49.46 68.32 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.526 0.679 . . . . 6.0 110.497 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -31.64 72.88 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 24.2 m -66.16 -51.33 58.83 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.734 1.214 . . . . 6.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -46.54 85.74 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.833 1.253 . . . . 6.0 111.471 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -56.5 -41.63 76.98 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.68 1.127 . . . . 6.0 112.055 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -64.73 -43.8 92.24 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.268 0.627 . . . . 6.0 111.793 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.75 -38.74 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.108 0.963 . . . . 6.0 111.164 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.02 -50.08 51.98 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 125.261 1.425 . . . . 6.0 111.692 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -59.25 -35.97 74.66 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 122.234 0.214 . . . . 6.0 111.423 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.62 -51.91 63.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.774 -0.579 . . . . 6.0 109.527 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.0 mtp -53.82 -34.52 59.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.896 1.278 . . . . 6.0 113.143 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 114.09 1.144 . . . . 6.0 114.09 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 107.935 -1.135 . . . . 6.0 107.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.42 -38.93 66.84 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.469 2.026 . . . . 6.0 116.469 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -88.1 -26.59 22.43 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.119 1.155 . . . . 6.0 114.119 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.15 -63.23 1.22 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.527 1.931 . . . . 6.0 113.7 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.05 87.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.562 0.578 . . . . 6.0 112.562 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.504 ' HA ' HD22 ' B' ' 798' ' ' LEU . 70.3 m -65.8 -46.25 79.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.395 0.278 . . . . 6.0 111.568 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.3 m -57.34 -45.54 84.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.728 1.211 . . . . 6.0 111.564 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.454 ' HB2' HH11 ' A' ' 412' ' ' ARG . 0.0 OUTLIER -49.85 -36.27 26.28 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.901 1.68 . . . . 6.0 112.9 176.346 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -89.97 -41.12 11.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.943 1.297 . . . . 6.0 112.04 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.51 -40.56 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.02 0.928 . . . . 6.0 112.715 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 46.8 mt -60.3 -48.69 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.522 1.529 . . . . 6.0 110.223 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 m -59.19 -25.03 63.61 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.009 1.485 . . . . 6.0 115.009 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -69.18 -54.39 15.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.986 1.266 . . . . 6.0 111.32 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -59.52 -30.58 68.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.009 0.924 . . . . 6.0 112.61 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.49 -15.76 63.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.035 1.334 . . . . 6.0 114.558 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.16 -24.79 2.06 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.899 2.185 . . . . 6.0 116.899 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.26 103.27 1.91 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 120.221 1.373 . . . . 6.0 113.338 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 38.1 p -87.52 -8.16 56.72 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.056 1.342 . . . . 6.0 113.147 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 74.5 mtm180 -62.1 123.69 18.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.622 1.569 . . . . 6.0 112.99 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.76 -3.57 38.89 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.432 0.53 . . . . 6.0 112.432 173.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -125.79 10.23 7.69 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.318 1.599 . . . . 6.0 115.318 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . 0.41 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 23.4 t -58.01 132.92 83.72 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.062 0.945 . . . . 6.0 108.97 174.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.22 -43.31 24.24 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.491 2.127 . . . . 6.0 111.661 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.92 -52.46 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.935 1.294 . . . . 6.0 111.157 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 89.9 m -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.216 1.562 . . . . 6.0 115.216 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -59.12 2.14 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 121.047 1.749 . . . . 6.0 114.228 -175.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.67 -40.03 87.69 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.222 1.948 . . . . 6.0 113.002 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.04 -41.6 81.85 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.492 1.496 . . . . 6.0 112.058 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -65.44 -25.95 67.74 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 6.0 110.634 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -81.18 -43.15 19.74 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.461 1.504 . . . . 6.0 109.976 173.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 127.913 2.485 . . . . 6.0 114.249 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 119.032 -0.509 . . . . 6.0 112.359 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.75 157.07 24.94 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.927 2.418 . . . . 6.0 112.417 175.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.05 111.35 2.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.315 1.046 . . . . 6.0 112.969 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.82 124.01 34.1 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.138 2.175 . . . . 6.0 109.767 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -49.66 124.96 13.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.453 2.768 . . . . 6.0 113.291 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -50.05 -38.09 36.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.083 1.353 . . . . 6.0 114.281 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.22 -26.34 65.66 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.542 1.137 . . . . 6.0 113.04 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.05 -25.92 20.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.656 1.183 . . . . 6.0 112.347 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -56.95 -35.34 69.0 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 119.927 1.24 . . . . 6.0 112.213 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.49 -16.32 62.9 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.9 mt -67.34 138.66 56.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.719 1.145 . . . . 6.0 112.354 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 101.87 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.502 0.721 . . . . 6.0 110.223 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 3.0 p -88.27 -9.66 52.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.959 1.304 . . . . 6.0 114.082 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.8 -46.28 99.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 119.934 1.243 . . . . 6.0 113.913 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -23.2 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 CA-C-N 121.557 1.592 . . . . 6.0 111.167 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.8 mtt -66.28 -17.36 64.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.076 0.95 . . . . 6.0 112.934 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -52.09 -24.73 7.31 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.382 1.253 . . . . 6.0 114.382 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -64.49 -28.92 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.11 0.868 . . . . 6.0 112.318 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -82.89 -12.94 56.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.719 1.607 . . . . 6.0 114.092 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . 0.427 ' HB2' HD21 ' A' ' 352' ' ' LEU . 39.0 tpt85 -48.76 -26.16 2.21 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.808 2.151 . . . . 6.0 116.808 -174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -138.42 33.6 2.29 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.8 1.24 . . . . 6.0 111.707 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 6.1 m -132.02 21.57 4.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.217 1.562 . . . . 6.0 115.217 -174.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -145.76 153.1 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.127 0.971 . . . . 6.0 112.467 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -119.77 86.29 2.53 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.147 2.179 . . . . 6.0 107.82 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.97 -37.14 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.275 1.43 . . . . 6.0 112.949 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.0 mt-10 -95.3 -19.9 19.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.481 2.03 . . . . 6.0 116.481 -176.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.62 -21.15 19.57 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.419 1.463 . . . . 6.0 114.736 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -41.89 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.638 1.575 . . . . 6.0 112.43 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 54.4 mmm . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 129.214 3.006 . . . . 6.0 115.921 -169.859 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 118.803 -0.618 . . . . 6.0 111.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.61 -42.26 63.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.0 3.133 . . . . 6.0 114.874 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.76 -45.94 73.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.755 0.822 . . . . 6.0 111.576 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -61.08 -47.35 86.71 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.666 -0.646 . . . . 6.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.42 -42.83 64.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.079 1.352 . . . . 6.0 110.961 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -62.29 -44.97 95.29 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.878 0.871 . . . . 6.0 111.483 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.01 -50.43 73.43 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.878 1.436 . . . . 6.0 114.878 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 120.413 1.461 . . . . 6.0 111.13 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.04 -44.88 79.23 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.435 1.016 . . . . 6.0 111.666 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -65.36 -48.26 73.57 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.624 1.17 . . . . 6.0 112.479 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.181 1.355 . . . . 6.0 110.759 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.34 -56.54 19.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.498 0.719 . . . . 6.0 110.348 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.12 -39.2 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 113.276 0.843 . . . . 6.0 113.276 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.483 HD21 HD12 ' A' ' 381' ' ' LEU . 13.1 mt -60.48 -40.15 90.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.98 0.809 . . . . 6.0 111.521 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.33 -44.85 86.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.89 0.768 . . . . 6.0 110.371 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 61.5 mt -57.75 -37.88 74.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.744 0.818 . . . . 6.0 111.957 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -68.04 -57.44 6.13 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.924 0.489 . . . . 6.0 109.738 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.82 -37.95 64.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.355 1.613 . . . . 6.0 115.355 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -58.23 -59.5 5.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.467 1.031 . . . . 6.0 111.064 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.95 -31.83 71.85 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.766 -0.584 . . . . 6.0 111.805 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.8 -36.46 83.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 119.237 0.926 . . . . 6.0 110.955 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 . . . . . 0 CA--C 1.545 0.779 0 O-C-N 120.167 -1.583 . . . . 6.0 112.226 174.819 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.65 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 112.535 0.569 . . . . 6.0 112.535 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.65 ' HD2' HD13 ' A' ' 381' ' ' LEU . 47.1 Cg_exo -44.3 -31.88 4.72 Favored 'Trans proline' 0 C--N 1.356 0.923 1 C-N-CA 126.077 4.518 . . . . 6.0 118.046 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -130.36 23.02 5.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.726 1.21 . . . . 6.0 113.846 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.99 -48.09 70.74 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.426 -0.796 . . . . 6.0 111.248 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -34.33 74.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.33 1.052 . . . . 6.0 112.755 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 50.9 m -64.42 -50.16 68.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.395 1.078 . . . . 6.0 109.036 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -63.47 -44.97 92.88 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.513 1.125 . . . . 6.0 112.402 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -57.97 -44.28 86.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.537 1.135 . . . . 6.0 111.372 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.75 -39.97 88.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.249 0.62 . . . . 6.0 111.987 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.63 -45.12 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.256 1.022 . . . . 6.0 110.709 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.07 -45.8 87.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.957 1.303 . . . . 6.0 111.616 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.19 -43.79 92.2 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.862 -0.524 . . . . 6.0 110.834 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -60.01 -53.29 59.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.647 0.779 . . . . 6.0 110.51 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.1 mtp -51.8 -36.21 46.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.13 1.772 . . . . 6.0 113.213 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 124.578 1.151 . . . . 6.0 113.288 179.489 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 122.069 0.938 . . . . 6.0 108.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.31 41.48 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.849 1.426 . . . . 6.0 114.849 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -83.93 -19.18 35.14 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.215 1.191 . . . . 6.0 114.215 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 28.4 t -67.11 -65.79 0.64 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.344 1.429 . . . . 6.0 112.126 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.18 -34.15 70.02 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.375 0.88 . . . . 6.0 113.375 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 17.9 p -68.85 -52.48 29.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.313 0.506 . . . . 6.0 111.014 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.6 m -53.49 -45.87 69.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.468 1.107 . . . . 6.0 112.564 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -52.86 -36.25 58.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.805 1.242 . . . . 6.0 112.837 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -85.06 -42.6 14.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.131 0.972 . . . . 6.0 112.253 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.01 -41.42 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.75 1.22 . . . . 6.0 113.653 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.91 -47.64 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.622 1.569 . . . . 6.0 110.335 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.4 m -58.07 -23.42 54.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.5 1.667 . . . . 6.0 115.5 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -69.3 -54.88 12.35 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.457 1.48 . . . . 6.0 111.209 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -61.72 -28.82 69.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.695 0.798 . . . . 6.0 112.729 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.31 -11.51 60.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.332 1.234 . . . . 6.0 114.332 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -130.06 -32.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.701 1.741 . . . . 6.0 115.701 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.9 t -69.56 148.44 49.42 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.638 1.108 . . . . 6.0 113.063 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -140.22 -14.26 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.73 1.612 . . . . 6.0 114.455 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -61.59 119.62 9.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.664 1.186 . . . . 6.0 112.241 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -61.68 -9.92 7.38 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.154 2.279 . . . . 6.0 117.154 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -126.94 16.25 7.36 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.761 1.164 . . . . 6.0 113.667 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.2 t -52.52 125.97 37.67 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 125.573 1.549 . . . . 6.0 110.504 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -52.69 -22.43 17.29 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.681 3.587 . . . . 6.0 116.48 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 30.2 t -114.65 -39.17 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.611 1.164 . . . . 6.0 111.102 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.72 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 95.6 m -72.66 -26.87 61.79 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.256 -1.528 . . . . 6.0 113.622 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 430' ' ' LEU . 2.7 tm? -39.88 -58.25 2.26 Favored Pre-proline 0 N--CA 1.474 0.774 0 CA-C-N 120.541 1.518 . . . . 6.0 114.342 -175.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.64 -32.98 97.9 Favored 'Trans proline' 0 C--N 1.35 0.638 0 CA-C-N 121.717 1.649 . . . . 6.0 113.173 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.7 -45.44 52.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.485 1.493 . . . . 6.0 110.842 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.72 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.0 mttt -59.91 -27.27 66.6 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.364 1.465 . . . . 6.0 110.695 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -84.01 -43.38 15.21 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.583 1.953 . . . . 6.0 110.751 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 126.542 1.937 . . . . 6.0 112.409 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 119.34 -0.362 . . . . 6.0 111.373 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.44 155.94 23.68 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.637 2.891 . . . . 6.0 111.093 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.67 103.46 2.13 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.793 -1.192 . . . . 6.0 113.822 -178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 tt -33.95 130.55 0.41 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 130.029 3.331 . . . . 6.0 111.925 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -54.27 126.99 24.0 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.538 2.159 . . . . 6.0 113.297 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -47.01 -41.85 17.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.349 1.86 . . . . 6.0 115.016 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.67 -27.76 67.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.075 0.95 . . . . 6.0 113.205 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 35.0 mt -90.02 -22.88 21.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.658 1.183 . . . . 6.0 113.132 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -55.39 -38.5 68.95 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 120.376 1.444 . . . . 6.0 111.985 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.17 -12.41 61.47 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.114 1.765 . . . . 6.0 114.672 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.9 mt -71.39 133.91 46.28 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.422 1.01 . . . . 6.0 111.294 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -73.25 107.49 5.6 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.8 p -88.92 -10.39 47.99 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.17 1.388 . . . . 6.0 114.397 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.93 -44.88 99.72 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 120.37 1.441 . . . . 6.0 113.467 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -62.01 -35.06 78.79 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.487 2.125 . . . . 6.0 112.072 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.4 mtt -63.87 -17.25 62.98 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.548 1.139 . . . . 6.0 113.521 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.46 -22.62 8.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.048 1.129 . . . . 6.0 114.048 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.18 -29.82 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.193 0.906 . . . . 6.0 112.028 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -85.46 -11.72 53.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.192 1.797 . . . . 6.0 114.42 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -49.81 -25.98 3.55 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 117.398 2.37 . . . . 6.0 117.398 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -136.42 32.35 2.82 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.428 1.491 . . . . 6.0 111.399 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.4 m -129.91 18.73 5.58 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.242 1.571 . . . . 6.0 115.242 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -144.82 146.05 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.023 0.929 . . . . 6.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -115.95 86.83 2.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.977 1.711 . . . . 6.0 107.13 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 812' ' ' ILE . 1.5 mt -45.23 -38.84 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.854 1.662 . . . . 6.0 112.819 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.2 mt-10 -86.03 -19.97 29.52 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.259 1.948 . . . . 6.0 116.259 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -95.69 -21.59 18.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.673 1.36 . . . . 6.0 114.673 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -38.7 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.696 1.198 . . . . 6.0 110.856 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 10.3 tpp . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.147 1.779 . . . . 6.0 112.803 -178.004 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.428 -0.582 . . . . 6.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.21 -43.08 38.39 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 124.678 3.585 . . . . 6.0 116.224 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.94 -48.65 43.81 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.858 -0.526 . . . . 6.0 112.223 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.668 -0.645 . . . . 6.0 110.008 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -46.42 54.98 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.722 1.609 . . . . 6.0 111.615 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -72.0 -33.35 68.03 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.18 1.355 . . . . 6.0 113.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.44 -49.1 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.895 1.68 . . . . 6.0 113.016 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.98 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 119.901 1.228 . . . . 6.0 111.166 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -54.06 -48.69 70.34 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.31 1.414 . . . . 6.0 112.003 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.41 -46.92 78.1 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.609 1.564 . . . . 6.0 112.043 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.11 -43.92 97.1 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.713 1.142 . . . . 6.0 110.948 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.22 -56.17 22.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.422 0.689 . . . . 6.0 110.077 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.83 -38.51 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 113.491 0.923 . . . . 6.0 113.491 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.98 -38.5 82.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.055 0.843 . . . . 6.0 111.514 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.11 -43.97 90.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 6.0 110.371 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.39 -46.93 76.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.276 0.631 . . . . 6.0 111.106 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.05 -61.42 2.58 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.161 0.584 . . . . 6.0 110.286 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.81 61.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.354 1.462 . . . . 6.0 114.468 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -60.31 -54.12 49.48 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.415 1.007 . . . . 6.0 111.718 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -64.34 -37.5 87.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.499 -0.75 . . . . 6.0 111.574 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.14 -37.87 86.83 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.675 0.79 . . . . 6.0 110.93 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 124.395 1.078 . . . . 6.0 109.668 174.092 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.253 0 CA-C-O 118.863 -0.589 . . . . 6.0 110.5 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 381' ' ' LEU . 1.4 Cg_exo -35.36 -35.11 0.12 Allowed 'Trans proline' 0 CA--C 1.541 0.825 1 C-N-CA 126.625 4.884 . . . . 6.0 121.52 -176.009 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.73 19.97 6.62 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.01 1.485 . . . . 6.0 115.01 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 13.0 t -52.36 -51.8 56.89 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.172 0.989 . . . . 6.0 111.335 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.55 -35.34 77.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.699 1.2 . . . . 6.0 113.057 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.9 m -63.51 -49.41 73.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.226 1.01 . . . . 6.0 109.455 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.1 mmt -66.33 -46.06 78.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.623 1.169 . . . . 6.0 112.25 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -54.53 -44.97 73.26 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.091 1.314 . . . . 6.0 111.51 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.77 -44.24 97.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.719 0.808 . . . . 6.0 112.198 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -36.87 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.178 0.991 . . . . 6.0 111.736 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.38 -49.3 56.64 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 124.794 1.237 . . . . 6.0 111.434 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.08 -32.83 72.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 111.819 0.303 . . . . 6.0 111.819 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -65.88 -50.95 62.67 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.482 -0.761 . . . . 6.0 109.375 173.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 67.1 mtp -52.85 -33.57 50.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.871 1.269 . . . . 6.0 112.801 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 114.686 1.365 . . . . 6.0 114.686 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 107.001 -1.481 . . . . 6.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.38 -34.69 11.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.227 1.936 . . . . 6.0 116.227 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.01 -24.25 21.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.656 1.354 . . . . 6.0 114.656 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 23.2 t -58.48 -67.37 0.36 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.321 1.449 . . . . 6.0 113.328 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.41 67.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.724 0.639 . . . . 6.0 112.724 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.574 ' HA ' HD22 ' B' ' 798' ' ' LEU . 63.0 m -67.13 -48.08 69.17 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.178 -0.327 . . . . 6.0 111.682 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -59.66 -47.07 87.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.601 1.16 . . . . 6.0 111.904 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -50.14 -37.88 36.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.295 1.838 . . . . 6.0 112.413 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -83.36 -43.26 16.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.415 1.086 . . . . 6.0 112.377 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.75 -39.11 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 120.962 -1.086 . . . . 6.0 113.515 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.355 1.462 . . . . 6.0 110.768 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.4 m -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.524 1.305 . . . . 6.0 114.524 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -68.1 -59.86 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.261 0.937 . . . . 6.0 110.898 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -57.72 -33.95 68.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.75 1.22 . . . . 6.0 113.31 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -63.0 -13.48 35.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.776 1.231 . . . . 6.0 114.052 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -133.92 -30.85 1.19 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.377 1.992 . . . . 6.0 116.377 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.42 136.98 57.98 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.855 1.207 . . . . 6.0 114.02 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 14.4 t -138.49 10.21 2.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.908 1.683 . . . . 6.0 113.18 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -67.29 118.89 11.28 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.262 1.425 . . . . 6.0 110.16 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -63.88 -8.94 12.54 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.006 1.854 . . . . 6.0 116.006 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -129.75 19.75 5.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.309 1.444 . . . . 6.0 113.067 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 52.7 t -54.24 124.31 46.0 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.411 -0.959 . . . . 6.0 108.411 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.78 -28.07 59.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.007 1.805 . . . . 6.0 112.327 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.97 -46.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 117.897 -1.049 . . . . 6.0 110.711 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.698 ' CB ' ' HZ3' ' A' ' 433' ' ' LYS . 85.4 m -74.08 -29.6 61.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 121.072 1.76 . . . . 6.0 114.922 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.1 tp -40.87 -53.37 6.11 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-N 122.179 2.263 . . . . 6.0 115.318 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -59.44 -35.51 96.02 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-N 121.813 1.683 . . . . 6.0 112.879 176.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.39 -42.01 62.66 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.082 1.31 . . . . 6.0 111.861 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.698 ' HZ3' ' CB ' ' A' ' 429' ' ' CYS . 13.9 mttm -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.219 -1.03 . . . . 6.0 108.219 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -65.82 -45.39 82.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.882 1.273 . . . . 6.0 111.666 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 126.537 1.935 . . . . 6.0 113.127 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 112.876 0.695 . . . . 6.0 112.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -51.98 159.21 4.05 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 123.545 2.83 . . . . 6.0 112.232 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.38 107.43 0.57 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.445 1.498 . . . . 6.0 113.615 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.69 122.77 35.0 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.468 1.907 . . . . 6.0 110.813 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -51.52 124.06 13.5 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.475 2.783 . . . . 6.0 113.041 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -50.85 -37.39 42.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.588 1.329 . . . . 6.0 114.588 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.37 -26.84 66.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.781 0.833 . . . . 6.0 112.679 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.07 -28.04 19.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.809 1.243 . . . . 6.0 112.703 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -55.15 -38.28 68.05 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.855 1.207 . . . . 6.0 112.147 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.83 -11.38 60.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.061 1.344 . . . . 6.0 114.402 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.0 mt -69.52 139.97 53.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.786 1.176 . . . . 6.0 112.096 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -74.23 101.22 3.93 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.769 0.827 . . . . 6.0 109.973 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.1 p -86.95 -9.56 55.34 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.92 1.288 . . . . 6.0 113.891 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.24 -45.76 99.21 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.986 1.266 . . . . 6.0 114.219 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.22 -23.82 20.63 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 CA-C-N 121.835 1.691 . . . . 6.0 110.941 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 28.6 mtt -66.25 -16.87 64.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.225 1.01 . . . . 6.0 112.957 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.93 -22.05 3.55 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -70.01 -27.64 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.047 0.84 . . . . 6.0 112.517 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.33 -12.6 54.3 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.898 1.679 . . . . 6.0 113.987 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -47.22 -22.1 0.35 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 117.85 2.537 . . . . 6.0 117.85 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.41 32.84 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.044 1.737 . . . . 6.0 111.832 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.4 m -129.06 20.32 5.88 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.0 t -143.62 152.91 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.949 0.9 . . . . 6.0 112.642 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -119.55 84.01 2.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.031 2.132 . . . . 6.0 108.372 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.55 -40.83 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.896 1.678 . . . . 6.0 112.962 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.0 mt-10 -88.01 -19.91 26.54 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.536 1.68 . . . . 6.0 115.536 -178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -96.57 -25.09 15.74 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.746 1.387 . . . . 6.0 114.746 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -44.13 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.944 1.297 . . . . 6.0 111.518 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 26.4 tpp . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 126.798 2.039 . . . . 6.0 114.297 -174.295 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 109.078 -0.712 . . . . 6.0 109.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.79 -38.89 85.55 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.904 3.069 . . . . 6.0 115.302 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.21 -45.39 60.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.287 -0.883 . . . . 6.0 111.591 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -62.91 -45.75 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.743 -0.598 . . . . 6.0 109.932 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -50.29 -49.35 53.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.57 1.548 . . . . 6.0 110.859 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -57.54 -31.68 66.34 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.306 1.043 . . . . 6.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.57 -51.2 15.24 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.969 -1.015 . . . . 6.0 112.51 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.46 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.647 1.112 . . . . 6.0 110.539 174.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -55.8 -49.99 71.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.83 1.196 . . . . 6.0 112.095 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.3 -40.9 70.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 117.809 -1.091 . . . . 6.0 113.163 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -62.51 -43.28 99.19 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.532 1.514 . . . . 6.0 110.33 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.47 -57.63 11.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.759 0.824 . . . . 6.0 110.353 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 30.4 t -58.27 -40.02 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.469 0.914 . . . . 6.0 113.469 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 381' ' ' LEU . 11.4 mt -58.83 -36.82 75.16 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.736 0.698 . . . . 6.0 112.14 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.09 -43.77 73.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.774 0.715 . . . . 6.0 110.494 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.86 -41.54 70.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.073 0.549 . . . . 6.0 110.869 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.38 -59.53 2.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.158 0.583 . . . . 6.0 111.092 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.11 -37.95 49.01 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.5 1.296 . . . . 6.0 114.5 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -59.81 -59.04 6.07 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.116 0.871 . . . . 6.0 111.468 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -65.1 -30.36 71.29 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.54 -0.725 . . . . 6.0 112.678 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.7 t -64.67 -43.8 92.4 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.971 0.908 . . . . 6.0 110.571 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? . . . . . 0 CA--C 1.546 0.815 0 O-C-N 120.886 -1.134 . . . . 6.0 110.795 174.577 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 112.413 0.523 . . . . 6.0 112.413 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.4 Cg_exo -45.43 -30.17 5.48 Favored 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 125.861 4.374 . . . . 6.0 117.682 177.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.74 20.91 6.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.239 1.416 . . . . 6.0 113.727 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.35 -49.35 69.96 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.335 -0.853 . . . . 6.0 111.185 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -35.32 80.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.041 0.936 . . . . 6.0 112.76 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -60.49 -50.96 71.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.667 1.187 . . . . 6.0 109.087 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.48 80.96 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.391 1.076 . . . . 6.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -56.4 -41.79 76.89 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.814 1.188 . . . . 6.0 111.926 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -63.74 -43.97 94.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.363 0.665 . . . . 6.0 111.514 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.91 -41.38 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.153 0.981 . . . . 6.0 111.217 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.7 -46.95 77.08 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.918 1.687 . . . . 6.0 112.416 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.64 -44.41 97.02 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.977 -0.452 . . . . 6.0 110.134 174.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -56.18 -54.48 44.75 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.451 0.569 . . . . 6.0 110.121 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 58.8 mtp -49.94 -37.37 31.65 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.437 1.895 . . . . 6.0 113.391 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.354 1.062 . . . . 6.0 113.309 -179.062 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 108.426 -0.953 . . . . 6.0 108.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.27 48.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -84.18 -19.78 33.48 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.892 1.071 . . . . 6.0 113.892 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 21.7 t -66.6 -66.61 0.53 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.103 1.32 . . . . 6.0 111.529 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.7 -36.2 64.43 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.42 0.896 . . . . 6.0 113.42 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 18.7 p -70.14 -52.88 20.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.827 0.285 . . . . 6.0 111.339 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 75.3 m -53.14 -44.43 67.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.505 1.122 . . . . 6.0 112.342 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -52.79 -37.71 60.12 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.928 1.691 . . . . 6.0 112.579 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -84.12 -42.7 15.77 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.516 1.526 . . . . 6.0 112.35 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.24 -40.85 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.528 1.131 . . . . 6.0 113.289 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.46 -45.35 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.606 1.562 . . . . 6.0 110.11 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.1 m -58.45 -26.93 63.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.407 1.262 . . . . 6.0 114.407 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -69.26 -55.77 9.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.678 1.126 . . . . 6.0 110.798 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.0 t-105 -59.61 -31.84 69.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.605 1.162 . . . . 6.0 112.56 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -64.39 -14.16 55.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.478 1.511 . . . . 6.0 114.368 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -132.62 -29.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.291 1.96 . . . . 6.0 116.291 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.0 t -66.95 143.49 56.78 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.912 1.233 . . . . 6.0 113.638 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.4 p -136.98 -6.68 1.85 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.368 1.867 . . . . 6.0 113.418 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.67 117.24 6.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.904 1.682 . . . . 6.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -66.52 -8.91 29.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.543 1.683 . . . . 6.0 115.543 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -125.41 15.09 8.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.88 1.272 . . . . 6.0 113.475 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.61 126.48 70.63 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 106.887 -1.523 . . . . 6.0 106.887 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.03 -36.4 38.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.063 1.842 . . . . 6.0 112.698 -173.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 85.8 t -80.74 -47.73 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 118.414 -0.803 . . . . 6.0 110.446 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.707 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 97.6 m -70.78 -29.7 65.98 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.0 tp -42.3 -53.81 8.47 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 121.053 1.751 . . . . 6.0 114.97 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.41 -34.91 97.44 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 CA-C-N 122.172 1.811 . . . . 6.0 113.159 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.38 -41.94 65.77 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.482 1.492 . . . . 6.0 111.574 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.707 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.5 mttt -61.59 -40.89 96.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.714 1.206 . . . . 6.0 108.461 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.24 -41.4 81.22 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.516 1.126 . . . . 6.0 111.425 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 126.218 1.807 . . . . 6.0 113.358 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-O 118.944 -0.55 . . . . 6.0 111.925 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 158.89 11.7 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.195 2.597 . . . . 6.0 113.481 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.46 109.12 1.08 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.687 1.995 . . . . 6.0 114.177 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.45 123.46 43.62 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.397 1.479 . . . . 6.0 110.775 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.11 121.39 9.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.045 2.497 . . . . 6.0 111.801 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.57 -33.67 64.08 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.37 -27.43 69.31 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.615 -0.678 . . . . 6.0 112.178 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.11 -26.91 19.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.732 1.213 . . . . 6.0 111.702 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -58.82 -35.37 72.76 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.245 1.384 . . . . 6.0 110.835 174.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -64.69 -21.22 66.69 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.131 1.373 . . . . 6.0 114.147 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 43.7 mt -69.01 133.69 48.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.137 0.881 . . . . 6.0 111.688 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -72.5 105.85 4.34 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.225 0.61 . . . . 6.0 109.434 175.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -85.76 -8.9 57.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.073 1.349 . . . . 6.0 114.35 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.17 -46.77 99.27 Favored Pre-proline 0 N--CA 1.478 0.938 0 CA-C-N 120.701 1.591 . . . . 6.0 113.668 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.4 -32.5 81.02 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.287 1.992 . . . . 6.0 112.344 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 39.1 mtt -64.88 -16.89 63.77 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.622 1.169 . . . . 6.0 113.655 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.12 -22.2 3.98 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.425 1.268 . . . . 6.0 114.425 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.78 -28.47 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 118.914 0.779 . . . . 6.0 112.44 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.35 -12.81 48.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.067 1.747 . . . . 6.0 114.383 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -47.44 -25.57 1.1 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 117.953 2.575 . . . . 6.0 117.953 -172.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.48 33.57 1.3 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.616 1.567 . . . . 6.0 111.793 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -126.41 20.93 7.3 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.79 156.95 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.593 1.157 . . . . 6.0 111.589 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -122.3 85.06 2.35 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.631 1.972 . . . . 6.0 107.995 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -47.54 -40.24 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.242 1.417 . . . . 6.0 112.663 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 32.6 mt-10 -87.58 -19.93 27.13 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.12 1.896 . . . . 6.0 116.12 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -93.36 -25.09 17.86 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -42.54 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.704 1.202 . . . . 6.0 112.191 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.7 tpp . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 126.05 1.74 . . . . 6.0 114.154 -174.046 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 113.447 0.906 . . . . 6.0 113.447 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.87 -38.17 85.65 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.783 2.989 . . . . 6.0 115.053 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -69.85 -44.25 70.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 6.0 111.85 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' B' ' 800' ' ' THR . 86.8 tttt -65.04 -46.51 80.96 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.354 -0.841 . . . . 6.0 110.3 174.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -52.78 -45.7 67.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.348 1.459 . . . . 6.0 110.082 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.6 -43.12 99.45 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.796 1.238 . . . . 6.0 111.805 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.55 -48.39 81.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -38.84 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.558 1.526 . . . . 6.0 110.634 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -57.8 -45.51 85.98 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.195 0.907 . . . . 6.0 112.127 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.68 -48.19 78.15 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.309 1.044 . . . . 6.0 111.736 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.41 -44.15 92.16 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.665 1.12 . . . . 6.0 111.143 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.23 -52.4 59.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.875 0.87 . . . . 6.0 110.687 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.45 HG21 HG23 ' B' ' 812' ' ' ILE . 21.2 t -65.59 -38.9 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.706 0.632 . . . . 6.0 112.706 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -39.29 85.9 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.374 0.988 . . . . 6.0 111.619 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.76 -45.4 82.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.821 0.737 . . . . 6.0 110.284 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.25 -46.07 79.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.948 0.499 . . . . 6.0 110.999 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.32 -57.72 11.56 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 122.745 0.418 . . . . 6.0 109.986 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.03 -33.33 67.09 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.986 1.106 . . . . 6.0 113.986 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -64.61 -54.75 26.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.685 1.129 . . . . 6.0 109.591 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -43.37 66.56 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.582 1.153 . . . . 6.0 111.047 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.86 -38.16 73.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.405 0.682 . . . . 6.0 111.275 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.304 1.042 . . . . 6.0 110.229 173.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.558 1.255 0 CA-C-O 118.571 -0.728 . . . . 6.0 109.615 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -34.4 -36.05 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.856 1 C-N-CA 126.334 4.689 . . . . 6.0 121.578 -174.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -129.97 22.32 5.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.004 1.275 . . . . 6.0 114.096 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 7.7 t -51.28 -53.25 37.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.89 1.276 . . . . 6.0 111.385 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -35.41 74.93 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.613 1.165 . . . . 6.0 113.149 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.1 m -66.03 -50.9 62.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.818 0.847 . . . . 6.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 26.1 mmt -63.43 -42.63 98.7 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 123.427 0.691 . . . . 6.0 111.264 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.23 -42.34 81.22 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.644 1.111 . . . . 6.0 111.676 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -63.8 -43.49 96.12 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.985 0.514 . . . . 6.0 111.517 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.97 -41.43 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.991 0.916 . . . . 6.0 111.46 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.18 -46.22 71.28 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.684 1.594 . . . . 6.0 111.344 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.98 -41.35 96.25 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.773 -0.58 . . . . 6.0 110.067 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.94 -50.67 72.84 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.064 0.847 . . . . 6.0 110.439 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 61.8 mtp -52.93 -35.72 58.81 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.471 1.508 . . . . 6.0 112.088 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 125.013 1.325 . . . . 6.0 113.843 178.699 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 107.364 -1.347 . . . . 6.0 107.364 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.43 58.24 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.731 1.382 . . . . 6.0 114.731 -175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.74 -32.22 62.04 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.988 -1.006 . . . . 6.0 113.65 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.5 -64.24 0.99 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.273 1.429 . . . . 6.0 112.68 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.85 80.46 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.676 -0.64 . . . . 6.0 112.605 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -63.87 -47.97 78.56 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.622 0.369 . . . . 6.0 110.912 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.4 m -59.7 -46.18 89.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.354 1.462 . . . . 6.0 111.637 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -52.72 -42.62 65.03 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.926 0.891 . . . . 6.0 111.885 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -74.09 -44.18 54.95 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.524 0.73 . . . . 6.0 112.29 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.06 -43.23 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.526 1.131 . . . . 6.0 113.701 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.1 mt -55.17 -48.66 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.89 1.676 . . . . 6.0 110.761 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.3 m -57.47 -23.09 47.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.111 1.523 . . . . 6.0 115.111 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.25 -58.1 4.15 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.899 1.227 . . . . 6.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -61.44 -28.8 69.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.802 0.841 . . . . 6.0 112.561 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -63.78 -19.99 65.42 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.543 1.312 . . . . 6.0 114.543 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.54 -28.76 2.48 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.829 1.789 . . . . 6.0 115.829 -173.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.424 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.4 t -67.94 149.59 49.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.481 1.037 . . . . 6.0 112.792 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 63.2 p -139.87 -24.87 0.82 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.843 1.423 . . . . 6.0 114.843 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.71 119.85 7.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.831 1.196 . . . . 6.0 112.905 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -63.01 -6.83 4.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.698 1.999 . . . . 6.0 116.093 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.95 7.35 13.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.845 1.658 . . . . 6.0 113.522 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.8 t -48.77 126.46 13.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.856 1.662 . . . . 6.0 113.133 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -52.7 -23.0 18.79 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.637 2.891 . . . . 6.0 116.122 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 8.8 t -116.17 -44.95 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 116.682 -1.628 . . . . 6.0 110.994 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.517 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 36.9 m -69.89 -23.31 63.23 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.726 2.057 . . . . 6.0 114.375 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.9 tp -39.28 -56.62 2.61 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 121.625 2.011 . . . . 6.0 114.458 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -58.61 -33.98 98.56 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.152 1.901 . . . . 6.0 114.008 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.6 mp -74.04 -42.62 59.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.016 1.735 . . . . 6.0 111.18 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.517 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 43.3 mttt -60.96 -37.14 81.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.758 1.223 . . . . 6.0 108.952 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.89 -49.71 49.52 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.085 1.354 . . . . 6.0 110.362 172.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.548 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.478 0.972 0 C-N-CA 127.007 2.123 . . . . 6.0 114.629 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -66.24 159.73 48.49 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.955 3.103 . . . . 6.0 109.432 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -78.8 106.81 11.06 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.966 -1.084 . . . . 6.0 113.665 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.4 tt -27.99 129.61 0.21 Allowed Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 131.247 3.819 . . . . 6.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -54.86 128.17 29.33 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.409 2.073 . . . . 6.0 113.562 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -47.8 -42.14 25.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.241 1.816 . . . . 6.0 115.141 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.24 -28.22 68.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.331 -0.856 . . . . 6.0 113.04 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 37.2 mt -89.36 -20.1 24.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.193 0.997 . . . . 6.0 112.618 175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.86 -34.12 67.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 120.504 1.502 . . . . 6.0 111.442 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -68.58 -17.19 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.227 1.811 . . . . 6.0 114.093 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.51 116.42 16.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.303 0.956 . . . . 6.0 109.848 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.52 115.38 10.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.803 -0.814 . . . . 6.0 108.803 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 349' ' ' LYS . 22.5 p -81.1 -5.28 57.47 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.148 1.907 . . . . 6.0 116.148 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -53.46 -44.81 98.34 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-N 120.459 1.481 . . . . 6.0 114.175 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -63.29 -37.57 49.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.436 2.091 . . . . 6.0 111.578 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -17.12 62.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.401 1.08 . . . . 6.0 113.512 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -54.37 -22.93 13.61 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.401 1.455 . . . . 6.0 114.42 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.38 -26.48 40.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 119.411 1.005 . . . . 6.0 111.924 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -89.9 -10.02 46.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.99 2.116 . . . . 6.0 113.932 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -46.05 -24.17 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 118.092 2.627 . . . . 6.0 118.092 -171.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 32.37 1.52 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.361 1.464 . . . . 6.0 112.36 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 8.4 m -128.82 18.94 6.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.048 1.87 . . . . 6.0 116.048 -172.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.9 150.2 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.919 0.781 . . . . 6.0 112.452 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -116.73 86.43 2.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.826 2.05 . . . . 6.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.45 -36.91 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.724 1.21 . . . . 6.0 112.617 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.1 mt-10 -90.32 -19.95 23.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.643 2.09 . . . . 6.0 116.643 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.58 -16.49 16.74 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 120.423 1.465 . . . . 6.0 114.871 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -41.81 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.299 1.04 . . . . 6.0 110.914 175.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 CA--C 1.546 0.812 0 C-N-CA 126.589 1.955 . . . . 6.0 114.944 -173.778 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 50.1 t0 . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 119.257 -0.401 . . . . 6.0 110.451 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -50.84 -39.81 57.92 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.703 3.602 . . . . 6.0 114.905 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.42 -53.71 32.49 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.133 0.973 . . . . 6.0 111.164 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -40.62 93.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.719 0.808 . . . . 6.0 111.007 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -52.83 -50.35 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.052 1.741 . . . . 6.0 111.486 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -60.27 -34.47 73.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.717 0.807 . . . . 6.0 112.223 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' ' 807' ' ' ARG . 75.6 mt -67.2 -50.62 60.2 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.781 -1.104 . . . . 6.0 112.786 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.21 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 120.396 1.453 . . . . 6.0 110.79 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.57 -51.75 58.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.406 1.003 . . . . 6.0 112.282 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.5 -39.23 77.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.064 -0.97 . . . . 6.0 113.206 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.54 -44.88 89.41 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.527 1.512 . . . . 6.0 110.799 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.52 -53.34 55.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.824 0.85 . . . . 6.0 110.154 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.84 -38.01 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.26 -39.77 91.57 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.487 1.04 . . . . 6.0 111.876 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.12 -44.99 94.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.898 0.772 . . . . 6.0 110.412 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.27 -45.28 88.18 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.559 0.744 . . . . 6.0 111.383 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.19 -57.67 11.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.346 0.521 . . . . 6.0 110.169 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.32 57.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.2 1.4 . . . . 6.0 114.069 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.8 -53.67 50.67 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.042 0.837 . . . . 6.0 110.919 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -60.39 -37.19 80.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.75 0.82 . . . . 6.0 111.575 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.6 -34.66 76.17 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.631 1.172 . . . . 6.0 111.541 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? . . . . . 0 CA--C 1.542 0.648 0 O-C-N 120.726 -1.234 . . . . 6.0 110.181 173.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 108.828 -0.805 . . . . 6.0 108.828 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.437 ' HB2' ' HB3' ' B' ' 809' ' ' SER . 91.4 Cg_exo -47.98 143.04 14.36 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.808 2.339 . . . . 6.0 113.675 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 58.67 8.76 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.687 2.106 . . . . 6.0 116.687 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 12.0 t -52.54 -45.18 66.24 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 120.768 1.622 . . . . 6.0 111.644 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -28.3 69.66 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 31.3 m -66.86 -48.54 68.52 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.101 1.36 . . . . 6.0 108.645 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -47.74 71.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 124.591 1.156 . . . . 6.0 111.664 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -53.32 -41.11 65.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.909 1.232 . . . . 6.0 112.099 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.22 -47.19 80.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.747 0.819 . . . . 6.0 111.769 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.06 -38.88 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.623 1.169 . . . . 6.0 111.843 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.4 -49.1 62.5 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 126.218 1.807 . . . . 6.0 112.451 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -59.75 -40.51 88.37 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 122.073 -0.392 . . . . 6.0 110.367 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.44 -53.72 54.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.446 0.698 . . . . 6.0 110.296 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.6 mtp -52.47 -34.98 51.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.961 1.704 . . . . 6.0 113.777 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 6.0 113.296 -179.307 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.3 t . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 108.818 -0.808 . . . . 6.0 108.818 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.97 56.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.322 1.971 . . . . 6.0 116.322 -174.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.91 -25.17 21.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.128 1.159 . . . . 6.0 114.128 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.5 t -56.56 -65.59 0.58 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.786 1.635 . . . . 6.0 113.6 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.41 75.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.014 0.525 . . . . 6.0 112.393 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.584 ' HA ' HD22 ' B' ' 798' ' ' LEU . 64.9 m -66.65 -47.26 73.11 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.229 -0.294 . . . . 6.0 111.522 177.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -58.31 -43.47 88.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.728 1.211 . . . . 6.0 112.22 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.35 -43.35 54.06 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.577 1.551 . . . . 6.0 112.029 176.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -83.62 -40.91 18.43 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.872 1.269 . . . . 6.0 112.46 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.09 -41.75 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.299 0.954 . . . . 6.0 112.065 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.23 -49.25 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.086 1.354 . . . . 6.0 109.838 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 51.8 m -56.92 -31.09 64.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.635 0.976 . . . . 6.0 113.635 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.82 -57.55 8.58 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.91 0.777 . . . . 6.0 110.618 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -55.98 -33.92 65.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.539 1.536 . . . . 6.0 112.874 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -67.48 -13.21 61.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -132.13 -23.33 2.2 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.567 2.062 . . . . 6.0 116.567 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.0 t -62.77 148.25 47.38 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.152 1.342 . . . . 6.0 113.445 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.7 p -132.0 -14.67 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.63 1.572 . . . . 6.0 114.389 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -68.02 117.97 10.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.589 1.086 . . . . 6.0 110.779 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.0 -36.15 83.02 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 122.126 -0.359 . . . . 6.0 110.508 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.44 5.18 24.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.031 1.493 . . . . 6.0 115.031 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.84 125.45 39.09 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 107.392 -1.336 . . . . 6.0 107.392 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.22 -33.58 71.23 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.418 2.078 . . . . 6.0 112.28 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.35 -45.4 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 123.821 0.848 . . . . 6.0 111.169 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.494 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 96.3 m -73.94 -30.99 62.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.035 1.494 . . . . 6.0 115.035 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.6 tp -41.15 -52.9 6.92 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 120.898 1.681 . . . . 6.0 114.997 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -60.71 -34.84 91.42 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 122.089 1.782 . . . . 6.0 113.144 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.44 -40.9 66.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.341 1.428 . . . . 6.0 111.196 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.494 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 38.5 mttt -63.05 -31.45 72.6 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.131 1.372 . . . . 6.0 110.066 176.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.97 -47.48 44.98 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.677 1.191 . . . . 6.0 109.995 171.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 126.024 1.73 . . . . 6.0 113.707 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 118.626 -0.702 . . . . 6.0 110.726 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -55.29 160.25 8.92 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 122.922 2.415 . . . . 6.0 113.394 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.53 110.7 2.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.715 1.606 . . . . 6.0 114.184 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.48 121.28 59.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.111 1.764 . . . . 6.0 111.041 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.69 123.09 11.52 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.197 2.598 . . . . 6.0 112.773 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.55 -36.4 61.81 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.84 -25.2 67.1 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.014 0.925 . . . . 6.0 112.35 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.11 -28.62 18.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.664 1.186 . . . . 6.0 112.627 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -56.85 -37.87 71.88 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.024 1.284 . . . . 6.0 110.337 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -60.92 -27.78 68.44 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.753 2.021 . . . . 6.0 114.1 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.584 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.3 mt -64.69 138.17 58.24 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.983 0.81 . . . . 6.0 112.884 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -75.36 103.41 5.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.642 0.777 . . . . 6.0 110.42 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.46 -7.42 56.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.027 1.331 . . . . 6.0 114.338 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.97 -46.81 99.5 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 120.209 1.368 . . . . 6.0 113.715 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.8 -22.37 23.76 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 121.593 1.605 . . . . 6.0 111.293 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 19.2 mtt -67.68 -17.14 64.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.441 1.096 . . . . 6.0 113.358 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.09 -22.67 2.57 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.724 1.379 . . . . 6.0 114.724 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 20.7 pt -67.14 -29.13 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 118.946 0.794 . . . . 6.0 112.77 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -81.53 -17.03 49.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.926 1.69 . . . . 6.0 114.707 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . 0.498 ' HB2' HD21 ' A' ' 352' ' ' LEU . 29.7 tpt85 -45.99 -18.4 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.879 2.871 . . . . 6.0 118.629 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.13 30.7 1.04 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.195 1.398 . . . . 6.0 111.972 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.9 m -131.31 10.33 4.86 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.857 2.169 . . . . 6.0 116.857 -170.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.8 127.11 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 114.288 1.218 . . . . 6.0 114.288 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -87.51 85.96 7.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.576 1.55 . . . . 6.0 109.855 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.412 HG21 HD13 ' B' ' 812' ' ' ILE . 1.6 mt -47.87 -38.04 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.94 1.296 . . . . 6.0 112.694 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 87.9 mt-10 -90.07 -19.68 24.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.906 1.817 . . . . 6.0 115.906 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.01 -16.58 16.42 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.167 1.543 . . . . 6.0 115.167 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -44.39 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.406 1.082 . . . . 6.0 111.25 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.1 tpp . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 126.567 1.947 . . . . 6.0 114.993 -172.689 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 CA--C 1.553 1.089 0 N-CA-C 112.553 0.575 . . . . 6.0 112.553 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.45 -40.94 77.19 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.863 3.042 . . . . 6.0 115.489 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.15 -42.88 65.47 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.301 -0.874 . . . . 6.0 111.752 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.23 -45.62 92.51 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.85 -0.531 . . . . 6.0 109.722 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.48 -45.28 62.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.817 1.247 . . . . 6.0 110.032 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -64.09 -41.7 97.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.429 0.691 . . . . 6.0 112.141 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.22 -51.24 70.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -42.06 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.318 1.417 . . . . 6.0 110.751 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.16 -47.66 74.83 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.353 0.978 . . . . 6.0 112.422 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.63 -46.84 83.86 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.323 -0.846 . . . . 6.0 111.788 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.12 -44.37 92.43 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.007 1.276 . . . . 6.0 110.851 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.4 -55.37 29.33 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.161 0.984 . . . . 6.0 110.13 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.421 HG21 HG23 ' B' ' 812' ' ' ILE . 20.3 t -62.14 -38.25 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 113.15 0.796 . . . . 6.0 113.15 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.39 -39.12 78.81 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.167 0.894 . . . . 6.0 111.616 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.51 -44.29 78.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.164 0.586 . . . . 6.0 110.741 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.8 -40.67 80.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.999 0.52 . . . . 6.0 111.176 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . 0.413 ' HB2' HG23 ' B' ' 815' ' ' ILE . 53.0 t60 -64.08 -60.56 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.004 0.522 . . . . 6.0 110.052 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.95 -37.05 60.71 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.803 1.241 . . . . 6.0 114.329 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -56.6 -59.12 5.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.111 0.964 . . . . 6.0 111.852 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.95 -32.31 69.16 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.455 -0.778 . . . . 6.0 112.538 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 7.1 t -62.53 -45.09 94.55 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.576 0.625 . . . . 6.0 110.973 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 124.264 1.026 . . . . 6.0 111.507 176.749 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 CA--C 1.556 1.201 0 N-CA-C 107.237 -1.394 . . . . 6.0 107.237 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -34.27 -33.26 0.07 OUTLIER 'Trans proline' 0 CA--C 1.543 0.954 1 C-N-CA 126.234 4.623 . . . . 6.0 121.587 -173.111 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -132.33 20.37 4.39 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.037 1.289 . . . . 6.0 113.5 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.9 t -49.57 -51.77 34.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.216 1.006 . . . . 6.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -34.06 74.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.101 0.96 . . . . 6.0 113.161 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.4 m -64.33 -50.65 66.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 6.0 109.058 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -45.13 85.79 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.859 0.864 . . . . 6.0 111.287 177.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -55.1 -41.58 71.8 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.798 1.181 . . . . 6.0 111.991 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.02 -45.15 82.54 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.644 0.778 . . . . 6.0 112.004 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.4 -41.99 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.396 1.078 . . . . 6.0 111.561 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.8 -46.55 84.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.04 1.736 . . . . 6.0 111.717 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.22 -44.19 95.39 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.632 -0.667 . . . . 6.0 110.854 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -58.97 -50.03 75.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.408 0.683 . . . . 6.0 110.778 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 62.5 mtp -53.57 -34.22 57.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.149 1.78 . . . . 6.0 112.94 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.535 1.134 . . . . 6.0 113.363 179.043 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 108.12 -1.067 . . . . 6.0 108.12 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.59 -40.74 39.86 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.15 -22.39 36.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.185 1.18 . . . . 6.0 114.185 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.3 t -65.43 -63.38 1.11 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.28 1.4 . . . . 6.0 111.122 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.52 69.29 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.648 0.981 . . . . 6.0 113.648 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 19.3 p -68.21 -53.09 27.25 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 117.957 0.344 . . . . 6.0 111.046 176.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.9 m -52.74 -48.19 66.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.504 1.122 . . . . 6.0 112.355 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.23 -39.64 45.2 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.125 1.77 . . . . 6.0 112.364 177.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -81.97 -42.74 18.99 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.923 1.289 . . . . 6.0 112.634 173.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.47 -42.35 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.763 1.225 . . . . 6.0 113.261 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 11.6 mt -59.75 -47.59 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.199 1.4 . . . . 6.0 110.389 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.7 m -55.33 -23.38 23.46 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.32 1.23 . . . . 6.0 114.32 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -74.73 -56.18 5.07 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.579 1.081 . . . . 6.0 111.094 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.49 -33.08 70.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.746 0.818 . . . . 6.0 112.058 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -67.31 -9.88 45.43 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.009 1.723 . . . . 6.0 114.015 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -33.0 1.14 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.525 2.046 . . . . 6.0 116.525 -174.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.9 t -65.35 150.49 48.2 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.462 1.028 . . . . 6.0 113.629 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 62.9 p -140.72 -8.12 1.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.595 1.958 . . . . 6.0 113.807 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.6 117.5 6.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.75 1.62 . . . . 6.0 111.489 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -67.35 -8.82 35.53 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.528 1.677 . . . . 6.0 115.528 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.37 15.3 8.3 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.929 1.292 . . . . 6.0 113.202 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 45.9 t -54.97 125.91 57.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 107.01 -1.478 . . . . 6.0 107.01 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.91 -40.41 44.22 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.055 1.837 . . . . 6.0 111.649 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.19 -53.52 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 117.823 -1.084 . . . . 6.0 111.067 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.614 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 74.6 m -69.07 -29.65 67.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.85 1.796 . . . . 6.0 115.85 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.1 tp -41.2 -54.82 5.58 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 120.933 1.697 . . . . 6.0 114.959 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.71 -39.13 92.88 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.044 1.766 . . . . 6.0 113.082 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.94 -44.81 65.35 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.973 1.26 . . . . 6.0 111.837 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.614 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.7 mttt -58.79 -28.26 65.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.352 1.461 . . . . 6.0 110.52 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -89.95 -29.33 18.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.414 1.886 . . . . 6.0 113.193 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 127.086 2.154 . . . . 6.0 114.152 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 119.087 -0.482 . . . . 6.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.63 161.16 8.17 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 123.181 2.587 . . . . 6.0 112.964 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.32 108.12 1.24 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.105 1.762 . . . . 6.0 114.132 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.76 125.26 37.87 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 126.427 1.891 . . . . 6.0 110.117 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.16 126.66 23.28 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 122.598 2.199 . . . . 6.0 113.749 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -46.82 -42.47 17.22 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.477 1.911 . . . . 6.0 114.865 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.37 -26.29 66.39 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.94 0.896 . . . . 6.0 113.41 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.15 -24.5 21.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.399 1.08 . . . . 6.0 112.723 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -54.73 -38.68 67.42 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.215 1.37 . . . . 6.0 111.838 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.21 -12.74 61.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 6.0 114.576 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.5 mt -70.68 131.35 43.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.464 1.029 . . . . 6.0 111.026 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.19 106.14 3.68 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.308 0.643 . . . . 6.0 109.452 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.5 p -86.47 -7.92 58.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.895 1.278 . . . . 6.0 114.104 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.42 -46.52 98.91 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-N 120.32 1.418 . . . . 6.0 112.871 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -62.62 -32.26 79.31 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.489 2.126 . . . . 6.0 112.134 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.0 mtt -65.08 -17.3 64.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.311 1.045 . . . . 6.0 113.714 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.25 -23.2 13.97 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.45 1.278 . . . . 6.0 114.45 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.26 -28.8 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 119.457 1.026 . . . . 6.0 111.835 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.69 -10.38 53.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.324 1.849 . . . . 6.0 113.94 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -45.33 -28.55 0.85 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 117.38 2.363 . . . . 6.0 117.38 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.4 37.53 1.88 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.661 1.184 . . . . 6.0 110.966 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.6 m -128.57 15.9 6.49 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 116.426 2.01 . . . . 6.0 116.426 -172.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.05 146.8 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.242 0.928 . . . . 6.0 112.777 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -111.3 85.56 2.15 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.646 1.979 . . . . 6.0 108.68 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.421 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.25 -36.89 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.162 1.385 . . . . 6.0 112.17 -175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.0 mt-10 -89.62 -19.89 24.36 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 116.276 1.954 . . . . 6.0 116.276 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -104.34 -18.07 14.57 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.67 1.359 . . . . 6.0 114.67 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 362' ' ' HIS . 0.9 OUTLIER -62.88 -43.01 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.427 1.091 . . . . 6.0 111.614 176.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 19.3 tpp . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 127.479 2.312 . . . . 6.0 114.447 -171.877 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 115.027 1.491 . . . . 6.0 115.027 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.94 -43.9 19.27 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 124.719 3.612 . . . . 6.0 115.935 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.3 -42.53 59.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.425 -0.797 . . . . 6.0 112.133 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -41.35 96.66 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.307 -0.871 . . . . 6.0 110.025 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -55.57 -45.25 77.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.839 1.656 . . . . 6.0 110.333 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -60.76 -40.88 94.17 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.185 0.994 . . . . 6.0 111.695 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.31 -49.59 76.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.249 1.203 . . . . 6.0 114.249 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.21 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.436 1.471 . . . . 6.0 110.735 175.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.46 -46.31 83.8 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.231 0.923 . . . . 6.0 112.169 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.99 -47.92 81.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.248 1.019 . . . . 6.0 111.754 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.36 -45.14 89.05 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.699 1.136 . . . . 6.0 111.254 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 61.8 tp -54.17 -48.13 71.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.99 0.916 . . . . 6.0 111.209 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.6 t -68.53 -38.6 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.727 0.64 . . . . 6.0 112.727 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.415 HD21 HD12 ' A' ' 381' ' ' LEU . 13.2 mt -60.82 -40.89 94.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.265 0.939 . . . . 6.0 110.87 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.44 -47.12 83.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.299 0.64 . . . . 6.0 110.178 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.98 -40.23 72.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.802 0.841 . . . . 6.0 112.222 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -65.12 -57.54 8.34 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.478 0.581 . . . . 6.0 110.077 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.48 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.501 1.296 . . . . 6.0 114.501 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.05 -44.22 64.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.962 1.305 . . . . 6.0 112.31 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -90.05 -36.19 15.05 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.216 1.406 . . . . 6.0 111.64 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.72 -35.9 77.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.596 1.089 . . . . 6.0 112.511 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 CA--C 1.544 0.728 0 O-C-N 120.666 -1.271 . . . . 6.0 110.446 173.807 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.111 0 CA-C-O 119.034 -0.508 . . . . 6.0 111.592 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.5 Cg_exo -45.41 -30.18 5.44 Favored 'Trans proline' 0 CA--C 1.54 0.789 1 C-N-CA 125.783 4.322 . . . . 6.0 118.283 -179.001 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -131.21 22.39 4.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.597 1.159 . . . . 6.0 113.879 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.96 -49.55 65.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.72 0.808 . . . . 6.0 111.14 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -35.63 75.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.622 1.169 . . . . 6.0 112.916 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 34.8 m -64.46 -50.38 67.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.512 1.125 . . . . 6.0 109.38 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.2 mmt -64.27 -45.19 89.16 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.794 0.837 . . . . 6.0 111.814 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -56.66 -42.59 79.22 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.367 0.985 . . . . 6.0 111.862 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -66.27 -45.08 81.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.228 0.611 . . . . 6.0 111.407 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.5 -43.86 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.996 0.918 . . . . 6.0 111.268 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.79 -46.77 77.46 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.576 1.55 . . . . 6.0 112.454 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -60.46 -41.11 93.45 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.877 -0.514 . . . . 6.0 111.034 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -63.0 -53.93 46.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.039 0.936 . . . . 6.0 110.611 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.8 mtp -48.65 -40.07 26.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.987 2.115 . . . . 6.0 113.162 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 124.976 1.31 . . . . 6.0 113.872 -179.05 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 108.691 -0.855 . . . . 6.0 108.691 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.69 -29.02 36.95 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.007 1.484 . . . . 6.0 115.007 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.04 -24.56 21.15 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.899 1.444 . . . . 6.0 114.899 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.57 -69.25 0.13 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.792 1.637 . . . . 6.0 112.813 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.28 70.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.26 0.837 . . . . 6.0 113.26 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.466 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.0 m -66.42 -47.87 71.84 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.99 -0.444 . . . . 6.0 111.56 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -58.62 -48.19 81.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.127 1.371 . . . . 6.0 111.409 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -51.04 -38.0 48.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.959 1.304 . . . . 6.0 112.401 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -82.82 -40.75 19.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.916 0.886 . . . . 6.0 112.273 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -44.32 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.119 -0.988 . . . . 6.0 112.234 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.4 mt -56.39 -46.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.105 1.762 . . . . 6.0 111.415 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 65.6 m -57.18 -28.08 62.49 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.317 1.229 . . . . 6.0 114.317 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.21 -56.59 5.76 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.293 0.952 . . . . 6.0 111.051 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -58.78 -33.71 70.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.077 0.951 . . . . 6.0 112.004 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -60.55 -16.49 38.15 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.051 1.741 . . . . 6.0 114.639 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -130.95 -26.14 2.2 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.663 1.727 . . . . 6.0 115.663 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 38.0 t -70.25 131.19 43.82 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.792 1.178 . . . . 6.0 112.555 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 81.6 p -129.79 5.44 5.04 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.659 1.583 . . . . 6.0 114.301 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.69 164.29 10.05 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.82 1.248 . . . . 6.0 113.672 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -107.1 1.75 24.44 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.582 1.553 . . . . 6.0 112.069 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -140.82 9.95 2.19 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.348 1.61 . . . . 6.0 115.348 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.3 t -55.01 125.29 56.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.423 1.089 . . . . 6.0 109.594 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -43.09 60.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.006 2.47 . . . . 6.0 112.42 -177.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.7 t -83.09 -52.24 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 117.032 -1.461 . . . . 6.0 111.749 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 77.7 m -70.68 -27.09 63.76 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 121.49 1.95 . . . . 6.0 115.734 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.7 tp -38.25 -55.21 2.47 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 121.796 2.089 . . . . 6.0 115.144 -176.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.17 -37.06 99.08 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 121.963 1.775 . . . . 6.0 113.598 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.75 -43.83 57.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.246 1.384 . . . . 6.0 111.753 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -57.52 -35.96 70.94 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 6.0 109.134 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -75.12 -47.05 30.53 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.038 1.735 . . . . 6.0 111.072 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 125.809 1.644 . . . . 6.0 113.141 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 CA--C 1.543 0.676 0 CA-C-O 119.031 -0.509 . . . . 6.0 111.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -59.03 158.67 24.43 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.938 2.425 . . . . 6.0 112.7 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -65.44 105.37 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.787 1.235 . . . . 6.0 113.614 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.31 125.25 11.81 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.624 2.37 . . . . 6.0 111.077 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -47.1 129.34 15.17 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.494 2.796 . . . . 6.0 114.391 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -54.11 -32.1 54.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.066 1.346 . . . . 6.0 113.979 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -77.11 -28.72 54.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.476 1.11 . . . . 6.0 113.017 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.7 mt -90.24 -32.52 16.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.341 1.237 . . . . 6.0 114.341 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -56.36 -29.41 61.37 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.206 1.367 . . . . 6.0 113.495 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -79.86 -9.97 59.73 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.655 1.582 . . . . 6.0 114.426 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 410' ' ' SER . 20.2 mt -64.38 138.41 58.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.79 1.177 . . . . 6.0 110.767 177.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -72.57 101.35 2.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.256 0.622 . . . . 6.0 110.538 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -7.45 57.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.072 1.349 . . . . 6.0 114.112 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.0 -47.93 95.87 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.586 1.539 . . . . 6.0 112.674 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.29 -33.58 89.4 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.456 2.104 . . . . 6.0 111.938 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 23.1 mtt -64.07 -17.4 63.35 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.585 0.957 . . . . 6.0 113.585 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -55.48 -22.93 23.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.991 1.269 . . . . 6.0 114.356 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.7 pt -62.5 -30.55 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 119.52 1.055 . . . . 6.0 111.324 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -84.65 -10.5 57.27 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.32 1.848 . . . . 6.0 114.138 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -48.08 -23.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 117.478 2.399 . . . . 6.0 117.478 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.63 33.12 1.63 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.48 1.512 . . . . 6.0 112.038 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.5 m -130.77 21.55 5.02 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.103 1.89 . . . . 6.0 116.103 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.39 154.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.991 0.814 . . . . 6.0 112.664 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -121.52 84.78 2.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.232 2.213 . . . . 6.0 109.29 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.79 -37.36 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.121 1.368 . . . . 6.0 112.527 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.7 mt-10 -90.95 -19.83 22.84 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.122 1.897 . . . . 6.0 116.122 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -104.79 -16.71 14.84 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.923 1.453 . . . . 6.0 114.923 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -43.96 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.218 1.007 . . . . 6.0 111.015 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 125.906 1.683 . . . . 6.0 113.631 -174.042 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 112.383 0.512 . . . . 6.0 112.383 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.09 -31.22 74.17 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.043 3.162 . . . . 6.0 115.738 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.16 -42.77 20.36 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.465 -0.772 . . . . 6.0 111.332 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -59.27 -45.26 91.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.701 -0.624 . . . . 6.0 109.896 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -48.48 -44.64 35.97 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.366 1.467 . . . . 6.0 111.563 177.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -65.84 -44.21 86.2 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.785 0.72 . . . . 6.0 111.933 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 47.8 mt -56.19 -44.12 79.13 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.04 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 119.836 1.198 . . . . 6.0 111.039 173.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -57.21 -50.29 73.33 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.499 1.499 . . . . 6.0 112.804 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -59.64 -47.01 87.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.303 1.441 . . . . 6.0 111.858 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -64.66 -44.26 90.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.426 1.012 . . . . 6.0 111.27 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.66 -52.94 58.34 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.576 0.75 . . . . 6.0 110.596 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.98 -41.49 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 113.019 0.748 . . . . 6.0 113.019 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -57.82 -40.33 79.71 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.942 0.792 . . . . 6.0 111.527 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.22 -45.67 79.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.486 0.714 . . . . 6.0 111.288 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.54 -41.96 77.69 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.531 0.733 . . . . 6.0 111.06 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.9 -59.63 4.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.401 0.62 . . . . 6.0 109.961 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.4 66.65 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 117.492 2.405 . . . . 6.0 117.492 -174.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -64.19 -49.01 73.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.875 1.67 . . . . 6.0 111.996 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.47 63.22 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.384 -0.823 . . . . 6.0 111.715 174.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.38 -32.06 70.86 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.469 0.577 . . . . 6.0 110.768 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? . . . . . 0 CA--C 1.536 0.419 0 O-C-N 120.208 -1.557 . . . . 6.0 108.775 173.508 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.116 0 CA-C-O 118.622 -0.704 . . . . 6.0 109.289 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 84.2 Cg_exo -47.01 -28.47 7.27 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 125.11 3.873 . . . . 6.0 117.663 -177.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -131.4 23.29 4.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.812 1.245 . . . . 6.0 113.556 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.0 -49.34 66.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 6.0 111.183 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.92 74.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.326 1.051 . . . . 6.0 113.168 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.1 m -64.95 -51.0 64.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.463 1.105 . . . . 6.0 109.242 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.13 -44.01 93.53 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.976 0.91 . . . . 6.0 112.143 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -57.28 -43.08 82.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.98 0.912 . . . . 6.0 111.298 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -65.97 -42.37 89.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.292 0.637 . . . . 6.0 112.138 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.96 -46.51 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.038 0.935 . . . . 6.0 110.923 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.08 -45.07 86.78 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.646 1.179 . . . . 6.0 111.459 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.01 -43.0 81.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.944 -0.473 . . . . 6.0 110.833 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -61.22 -54.77 39.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.276 0.63 . . . . 6.0 109.984 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 80.3 mtp -52.25 -38.76 59.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.409 . . . . 6.0 113.467 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.288 1.435 . . . . 6.0 113.593 -179.128 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 108.367 -0.975 . . . . 6.0 108.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.0 59.4 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.981 1.845 . . . . 6.0 115.981 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.31 -27.91 38.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 12.0 t -55.96 -70.23 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.407 1.483 . . . . 6.0 113.958 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.85 74.48 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.746 -0.596 . . . . 6.0 112.156 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.464 ' HA ' HD22 ' B' ' 798' ' ' LEU . 49.2 m -62.09 -50.22 72.81 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.23 0.612 . . . . 6.0 110.899 177.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.9 m -59.6 -45.46 91.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.025 1.73 . . . . 6.0 112.187 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -32.57 66.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.735 1.214 . . . . 6.0 112.313 177.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.47 -47.16 12.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.542 1.137 . . . . 6.0 111.629 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -57.33 -43.69 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.182 1.393 . . . . 6.0 114.455 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.32 -49.55 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 6.0 111.057 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.2 t -61.0 -30.71 70.45 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.633 1.345 . . . . 6.0 114.633 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -57.81 -57.84 10.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.994 1.27 . . . . 6.0 110.989 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.9 -37.01 70.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.139 0.975 . . . . 6.0 113.305 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -69.69 -9.85 55.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.523 1.305 . . . . 6.0 114.523 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -126.83 -24.61 3.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.506 1.669 . . . . 6.0 115.506 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.81 108.35 2.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.796 1.238 . . . . 6.0 112.259 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.4 p -82.74 -11.64 58.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.935 1.294 . . . . 6.0 113.821 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.415 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 80.8 mtm180 -65.24 122.85 18.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.346 1.459 . . . . 6.0 113.047 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -75.96 -2.35 30.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.043 0.537 . . . . 6.0 112.193 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.57 17.51 5.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.488 1.515 . . . . 6.0 114.749 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . 0.415 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 19.2 t -55.73 134.19 72.23 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.049 0.94 . . . . 6.0 109.494 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.14 -23.75 77.84 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.481 2.12 . . . . 6.0 112.214 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.7 t -101.61 -51.28 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 117.236 -1.364 . . . . 6.0 111.359 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 66.5 m -69.07 -27.14 65.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 121.196 1.816 . . . . 6.0 115.386 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -38.39 -56.74 2.06 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 120.569 1.531 . . . . 6.0 114.485 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.76 -40.34 73.67 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.086 1.857 . . . . 6.0 113.649 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.94 -36.29 81.89 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.353 1.433 . . . . 6.0 110.97 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -66.6 -38.49 87.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.8 1.24 . . . . 6.0 109.017 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -67.58 -31.11 70.95 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.331 1.052 . . . . 6.0 111.733 170.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.422 1.489 . . . . 6.0 112.576 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 119.443 -0.313 . . . . 6.0 111.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -57.2 158.73 17.29 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.366 2.711 . . . . 6.0 112.22 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.62 107.28 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.62 1.168 . . . . 6.0 113.053 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.1 124.66 22.14 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.106 2.162 . . . . 6.0 110.892 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.26 126.48 17.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.794 2.996 . . . . 6.0 113.954 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -47.31 -44.62 23.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.775 1.63 . . . . 6.0 113.847 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -65.33 -25.74 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.677 1.191 . . . . 6.0 113.188 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.7 mt -90.13 -28.63 18.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.283 1.033 . . . . 6.0 112.092 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -60.31 -32.65 71.42 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.199 1.363 . . . . 6.0 111.055 174.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -64.24 -23.46 67.32 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.531 1.532 . . . . 6.0 113.24 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 410' ' ' SER . 50.1 mt -70.02 125.95 28.27 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.277 -0.889 . . . . 6.0 110.453 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -71.48 117.2 12.73 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.642 -1.244 . . . . 6.0 107.642 173.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -90.08 -3.69 57.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.918 1.687 . . . . 6.0 114.934 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -44.2 98.67 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 120.131 1.332 . . . . 6.0 112.938 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.71 -37.75 65.9 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.145 1.897 . . . . 6.0 111.587 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -17.83 63.36 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -51.47 -24.24 4.85 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.262 1.392 . . . . 6.0 114.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.6 pt -67.12 -26.15 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.63 0.772 . . . . 6.0 112.892 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -88.23 -9.9 51.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.814 2.045 . . . . 6.0 114.887 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -51.18 -21.59 2.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 117.957 2.577 . . . . 6.0 117.957 -172.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -140.72 30.53 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 6.0 113.232 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.8 18.75 5.11 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.616 1.71 . . . . 6.0 115.616 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.96 148.2 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 O-C-N 121.069 -1.019 . . . . 6.0 113.023 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -117.86 83.63 2.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.73 2.012 . . . . 6.0 107.844 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -43.92 -43.43 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.289 1.836 . . . . 6.0 112.8 -173.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 52.0 mt-10 -85.08 -19.73 31.47 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.966 1.839 . . . . 6.0 115.966 -176.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -99.38 -18.3 17.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.162 1.542 . . . . 6.0 115.162 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -41.39 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.833 1.253 . . . . 6.0 110.724 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 11.5 tpp . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 125.228 1.411 . . . . 6.0 111.818 -178.164 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 48.6 t0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 114.311 1.226 . . . . 6.0 114.311 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.56 -43.74 14.05 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 125.004 3.803 . . . . 6.0 116.452 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.82 -42.9 94.62 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.526 -0.734 . . . . 6.0 111.671 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -37.39 73.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.207 1.403 . . . . 6.0 112.388 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.455 HH11 HE22 ' A' ' 354' ' ' GLN . 2.8 tmm_? -52.41 -43.24 64.69 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.23 1.412 . . . . 6.0 112.659 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -69.95 -35.54 74.58 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.589 0.631 . . . . 6.0 112.603 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' B' ' 807' ' ' ARG . 52.3 mt -60.65 -45.22 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.468 1.284 . . . . 6.0 114.468 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -41.6 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 120.439 1.472 . . . . 6.0 110.49 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.455 HE22 HH11 ' A' ' 350' ' ' ARG . 98.2 mt-30 -55.95 -44.55 78.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.288 0.949 . . . . 6.0 112.918 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.62 -47.51 72.42 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.222 -0.894 . . . . 6.0 112.121 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -63.34 -43.6 97.25 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.35 1.432 . . . . 6.0 110.765 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 45.5 tp -53.85 -54.94 31.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.803 0.841 . . . . 6.0 111.205 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.465 HG21 HG23 ' B' ' 812' ' ' ILE . 20.7 t -61.29 -40.21 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 112.569 0.581 . . . . 6.0 112.569 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.83 -41.18 86.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.395 0.543 . . . . 6.0 111.91 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.05 -46.8 76.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.825 . . . . 6.0 111.401 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 77.1 mt -57.16 -40.72 77.8 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.004 0.921 . . . . 6.0 110.741 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -65.09 -60.99 2.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.331 0.653 . . . . 6.0 110.835 174.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -50.35 -36.67 33.34 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.889 1.676 . . . . 6.0 114.708 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -65.93 -52.61 48.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.755 1.162 . . . . 6.0 111.375 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -60.77 -32.21 71.54 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.14 -0.975 . . . . 6.0 111.746 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.83 -41.43 64.86 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.125 1.37 . . . . 6.0 110.583 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? . . . . . 0 CA--C 1.54 0.59 0 O-C-N 120.163 -1.586 . . . . 6.0 110.688 174.853 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.194 0 CA-C-O 118.465 -0.779 . . . . 6.0 109.477 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 381' ' ' LEU . 20.0 Cg_exo -41.31 -31.37 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 125.442 4.095 . . . . 6.0 118.322 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -128.61 21.15 6.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.084 1.354 . . . . 6.0 113.679 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.58 -49.59 64.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 6.0 109.628 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -64.78 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.955 1.302 . . . . 6.0 113.288 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.4 m -60.53 -50.28 74.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.151 0.98 . . . . 6.0 109.196 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -45.57 82.66 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.322 1.049 . . . . 6.0 111.079 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -57.22 -40.81 78.28 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.968 1.258 . . . . 6.0 112.573 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -62.67 -44.18 96.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.274 0.629 . . . . 6.0 111.276 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.47 -41.09 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.421 1.089 . . . . 6.0 111.452 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.24 -49.45 67.17 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.39 1.876 . . . . 6.0 112.296 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.45 -41.11 88.9 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.774 -0.579 . . . . 6.0 110.517 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -60.23 -54.2 48.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.524 0.729 . . . . 6.0 110.395 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.7 mtp -51.55 -38.85 56.23 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.122 1.769 . . . . 6.0 113.318 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.584 1.154 . . . . 6.0 113.14 -179.391 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 107.668 -1.234 . . . . 6.0 107.668 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.62 -43.54 36.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.319 1.6 . . . . 6.0 115.319 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -80.99 -26.84 36.22 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 117.586 -1.197 . . . . 6.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 32.8 t -59.39 -66.97 0.42 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.518 1.527 . . . . 6.0 113.881 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.01 72.26 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.618 -0.677 . . . . 6.0 112.202 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.423 ' HA ' HD22 ' B' ' 798' ' ' LEU . 31.7 m -65.22 -46.95 78.56 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.796 0.438 . . . . 6.0 110.551 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.3 m -58.78 -46.48 87.42 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.355 . . . . 6.0 112.394 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -51.67 -43.5 62.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.182 0.993 . . . . 6.0 111.972 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -75.52 -46.86 29.73 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.814 0.846 . . . . 6.0 111.951 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -55.95 -46.91 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.613 1.165 . . . . 6.0 113.101 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.87 -54.04 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.979 1.311 . . . . 6.0 110.041 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.9 m -57.2 -26.49 60.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.199 1.185 . . . . 6.0 114.199 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -64.13 -64.8 0.79 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.107 0.867 . . . . 6.0 109.846 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -56.67 -38.59 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.889 1.276 . . . . 6.0 113.768 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -65.75 -10.05 33.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -129.97 -21.49 3.0 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.477 1.658 . . . . 6.0 115.477 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 36.6 t -64.34 109.78 2.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.855 1.262 . . . . 6.0 113.536 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 37.8 p -87.12 -10.83 51.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.1 1.36 . . . . 6.0 113.348 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.418 ' NH1' ' SG ' ' A' ' 421' ' ' CYS . 10.0 mtp-105 -65.63 105.23 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.724 1.61 . . . . 6.0 112.082 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -66.42 -6.93 16.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.366 1.067 . . . . 6.0 113.228 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.65 10.46 9.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.017 1.727 . . . . 6.0 113.971 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.7 t -54.28 130.94 61.27 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.236 1.014 . . . . 6.0 109.357 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.68 -46.45 26.83 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.619 2.213 . . . . 6.0 110.919 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.23 -53.86 17.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 117.669 -1.158 . . . . 6.0 111.419 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.584 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 63.3 m -68.94 -29.42 67.66 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 115.973 1.842 . . . . 6.0 115.973 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.6 tp -42.09 -54.0 7.87 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 120.933 1.697 . . . . 6.0 115.461 -174.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.79 -37.03 98.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 122.153 1.805 . . . . 6.0 112.917 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.7 -41.42 65.29 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.953 1.251 . . . . 6.0 111.617 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.584 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.3 mttt -63.16 -23.72 67.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.161 1.384 . . . . 6.0 110.755 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -84.8 -47.6 10.22 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.754 1.622 . . . . 6.0 109.828 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 126.942 2.097 . . . . 6.0 113.1 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -57.13 157.18 21.84 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.946 2.431 . . . . 6.0 113.571 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -61.6 109.17 1.12 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.395 1.478 . . . . 6.0 112.497 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.57 129.87 70.38 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 126.571 1.948 . . . . 6.0 111.758 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -55.68 121.1 9.36 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.583 2.189 . . . . 6.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -27.01 66.66 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.137 1.532 . . . . 6.0 115.137 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -67.09 -25.9 66.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.532 1.06 . . . . 6.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.8 mt -90.36 -27.07 19.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.816 1.247 . . . . 6.0 112.414 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.34 -36.73 73.85 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 120.167 1.349 . . . . 6.0 110.863 174.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.21 -16.85 63.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.236 1.414 . . . . 6.0 114.403 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 410' ' ' SER . 26.0 mt -68.04 124.7 24.12 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.978 1.263 . . . . 6.0 109.2 175.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -68.12 109.88 3.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.751 -0.833 . . . . 6.0 108.751 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -4.36 58.87 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 115.332 1.604 . . . . 6.0 115.332 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.88 -45.89 99.83 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 120.333 1.424 . . . . 6.0 113.076 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -35.4 80.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.996 1.798 . . . . 6.0 112.487 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -18.21 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.383 1.073 . . . . 6.0 113.582 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -52.21 -24.23 6.87 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.075 1.307 . . . . 6.0 114.14 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.2 pt -67.15 -25.62 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 118.822 0.737 . . . . 6.0 112.472 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -89.28 -10.25 47.57 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 6.0 114.179 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . 0.406 ' HB2' HD21 ' A' ' 352' ' ' LEU . 47.4 tpt85 -47.34 -27.3 1.55 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.914 2.19 . . . . 6.0 116.914 -174.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.32 32.03 2.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 6.0 112.42 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.0 m -127.72 19.01 6.73 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 -174.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -145.02 153.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.29 1.036 . . . . 6.0 112.207 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -124.5 87.79 2.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.89 2.076 . . . . 6.0 108.287 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.465 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -45.89 -40.54 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.034 1.734 . . . . 6.0 113.067 -172.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 38.7 mt-10 -87.62 -19.96 27.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.225 1.935 . . . . 6.0 116.225 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -91.79 -24.95 19.25 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -45.12 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.859 1.264 . . . . 6.0 112.471 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.454 1.101 . . . . 6.0 113.71 -174.29 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 CA--C 1.55 0.975 0 CA-C-O 118.606 -0.712 . . . . 6.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.28 -44.54 42.47 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.213 3.275 . . . . 6.0 116.284 -176.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -71.09 -48.63 51.34 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.307 -0.87 . . . . 6.0 112.13 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -40.77 96.87 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.789 -0.57 . . . . 6.0 110.019 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.53 -46.1 77.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.547 1.539 . . . . 6.0 111.395 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.76 -42.89 99.56 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.167 0.894 . . . . 6.0 111.631 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.69 -49.03 74.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.881 1.067 . . . . 6.0 113.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -41.5 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 120.607 1.549 . . . . 6.0 111.526 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.69 -45.53 81.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.99 1.268 . . . . 6.0 112.403 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.72 -48.07 78.55 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.501 1.12 . . . . 6.0 111.676 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.78 -43.74 95.45 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.275 1.398 . . . . 6.0 110.789 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.21 -54.17 43.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.897 0.879 . . . . 6.0 110.747 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.442 HG21 HG23 ' B' ' 812' ' ' ILE . 24.9 t -64.49 -38.17 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.256 0.836 . . . . 6.0 113.256 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.88 -39.41 85.21 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.066 0.848 . . . . 6.0 110.874 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.1 -45.57 84.65 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.598 0.636 . . . . 6.0 110.439 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.06 -42.65 76.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.182 0.593 . . . . 6.0 111.603 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -63.63 -59.65 4.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.031 0.443 . . . . 6.0 110.345 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.43 65.68 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.586 1.328 . . . . 6.0 114.586 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -55.81 -48.02 76.16 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.439 1.018 . . . . 6.0 111.442 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -80.53 -36.86 32.55 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.535 0.734 . . . . 6.0 111.594 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.33 -34.81 75.88 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.448 1.022 . . . . 6.0 111.863 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 . . . . . 0 CA--C 1.539 0.524 0 O-C-N 120.861 -1.149 . . . . 6.0 110.094 173.492 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 119.01 -0.519 . . . . 6.0 112.122 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 381' ' ' LEU . 67.2 Cg_exo -46.04 -29.81 6.65 Favored 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.72 4.28 . . . . 6.0 117.733 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.06 19.92 6.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.052 1.341 . . . . 6.0 113.82 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.13 -51.92 60.4 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.633 0.652 . . . . 6.0 110.733 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.74 72.88 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.826 1.046 . . . . 6.0 113.826 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 28.0 m -65.27 -50.09 67.07 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.036 1.335 . . . . 6.0 108.96 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.65 -45.99 77.18 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.176 0.99 . . . . 6.0 111.989 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -54.08 -40.86 67.6 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.951 1.251 . . . . 6.0 112.056 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.73 -47.47 80.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.675 0.79 . . . . 6.0 111.683 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.24 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.848 1.259 . . . . 6.0 111.845 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 51.6 mt -67.08 -49.35 65.36 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.04 1.736 . . . . 6.0 111.501 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -57.88 -42.83 85.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.874 -0.516 . . . . 6.0 110.72 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -59.74 -53.82 53.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.803 0.841 . . . . 6.0 110.553 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -36.06 58.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.088 1.755 . . . . 6.0 113.882 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 6.0 112.955 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 108.522 -0.918 . . . . 6.0 108.522 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.57 45.32 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.215 1.561 . . . . 6.0 115.215 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -85.75 -19.24 31.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.216 1.191 . . . . 6.0 114.216 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 9.6 t -66.45 -63.49 1.06 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.22 1.373 . . . . 6.0 110.453 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.44 66.7 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.4 p -70.01 -52.93 20.2 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.083 0.402 . . . . 6.0 110.923 175.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.8 m -51.47 -45.92 62.93 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.143 0.977 . . . . 6.0 112.529 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -49.7 -39.26 36.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.175 1.79 . . . . 6.0 112.541 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 33.4 tp60 -90.01 -40.37 12.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.893 1.277 . . . . 6.0 112.39 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -56.83 -42.33 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.252 1.021 . . . . 6.0 111.838 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.93 -54.23 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.073 1.349 . . . . 6.0 109.67 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.3 m -50.45 -24.99 3.47 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.974 1.472 . . . . 6.0 114.974 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -73.16 -57.91 3.68 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.494 1.043 . . . . 6.0 111.229 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -58.11 -32.34 68.0 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.882 0.873 . . . . 6.0 112.14 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.75 -9.9 53.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.885 1.674 . . . . 6.0 113.798 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.34 -27.99 1.72 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.054 1.872 . . . . 6.0 116.054 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 6.3 t -65.44 168.47 7.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.835 1.303 . . . . 6.0 113.404 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.0 t -163.05 -24.78 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.438 1.895 . . . . 6.0 112.988 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -47.46 116.25 1.38 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.646 1.978 . . . . 6.0 112.141 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -66.21 -7.95 21.42 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.46 15.24 7.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.93 1.292 . . . . 6.0 113.155 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.29 125.82 59.81 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.033 -1.469 . . . . 6.0 107.033 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.72 -41.79 36.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.092 1.861 . . . . 6.0 111.66 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.92 -52.26 18.35 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 124.277 1.031 . . . . 6.0 111.147 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.617 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 71.8 m -69.85 -28.93 66.08 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 115.444 1.646 . . . . 6.0 115.444 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.4 tp -41.61 -53.94 7.02 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 121.164 1.802 . . . . 6.0 115.183 -174.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.81 -35.09 98.96 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 122.068 1.774 . . . . 6.0 113.485 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.47 -43.65 63.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.502 1.501 . . . . 6.0 110.647 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.617 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 46.5 mttt -61.42 -18.77 60.36 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.883 1.673 . . . . 6.0 111.072 175.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -90.14 -45.3 9.21 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.654 1.982 . . . . 6.0 110.623 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 127.461 2.304 . . . . 6.0 113.49 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 109.716 -0.475 . . . . 6.0 109.716 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.65 158.33 16.66 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 122.715 2.276 . . . . 6.0 113.152 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.46 108.89 1.21 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.234 1.813 . . . . 6.0 113.819 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.65 123.84 69.49 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.958 1.703 . . . . 6.0 110.827 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -51.88 125.85 18.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.001 2.467 . . . . 6.0 113.035 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.31 -40.01 61.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.541 1.137 . . . . 6.0 113.984 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.97 -27.54 69.47 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.113 0.965 . . . . 6.0 112.624 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.1 mt -90.24 -29.25 18.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.57 1.148 . . . . 6.0 112.601 172.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -58.11 -36.94 73.62 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.113 1.324 . . . . 6.0 110.093 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -61.51 -28.73 69.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.208 1.803 . . . . 6.0 113.701 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.5 mt -64.99 129.09 38.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.122 0.874 . . . . 6.0 111.393 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -70.52 109.43 4.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.177 -0.675 . . . . 6.0 109.177 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.1 -6.67 58.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.637 1.347 . . . . 6.0 114.637 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.14 -47.52 98.93 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 120.481 1.491 . . . . 6.0 113.782 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.94 -30.73 77.18 Favored 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 121.49 1.568 . . . . 6.0 112.253 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.5 mtt -67.23 -16.9 64.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.977 1.311 . . . . 6.0 113.738 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -52.11 -23.3 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 18.4 pt -66.53 -28.74 44.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.443 0.697 . . . . 6.0 112.459 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.92 -11.38 53.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.082 1.753 . . . . 6.0 114.595 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -49.27 -23.72 1.5 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 117.548 2.425 . . . . 6.0 117.548 -173.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -140.63 34.38 1.82 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.09 1.356 . . . . 6.0 111.52 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.7 m -131.29 19.69 4.84 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.373 1.62 . . . . 6.0 115.373 -173.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.82 154.86 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.134 0.974 . . . . 6.0 112.351 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -126.11 84.86 2.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.966 2.107 . . . . 6.0 108.556 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.442 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -44.85 -42.25 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.332 1.853 . . . . 6.0 113.321 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.5 mt-10 -86.74 -19.91 28.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 6.0 115.625 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -94.76 -25.03 16.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.438 1.273 . . . . 6.0 114.438 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -44.2 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.735 1.214 . . . . 6.0 111.677 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 30.9 tpp . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 125.896 1.679 . . . . 6.0 114.151 -173.547 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.558 1.268 0 N-CA-C 113.92 1.081 . . . . 6.0 113.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.24 -41.83 69.52 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.439 3.426 . . . . 6.0 115.045 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.95 -47.41 71.71 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.474 -0.766 . . . . 6.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -60.4 -47.21 87.05 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.79 0.436 . . . . 6.0 110.275 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -45.54 52.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.238 1.415 . . . . 6.0 111.4 176.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -67.52 -24.35 65.55 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.023 1.12 . . . . 6.0 114.023 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 807' ' ' ARG . 67.8 mt -75.67 -51.84 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.183 1.356 . . . . 6.0 112.378 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -38.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.063 0.847 . . . . 6.0 110.585 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -53.56 -52.91 58.22 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.049 0.84 . . . . 6.0 112.594 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.58 -40.74 89.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.154 -0.927 . . . . 6.0 112.91 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.22 -43.66 94.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.136 1.334 . . . . 6.0 111.049 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.18 -53.33 58.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.834 0.854 . . . . 6.0 110.695 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 29.3 t -62.19 -40.12 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 112.909 0.707 . . . . 6.0 112.909 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 381' ' ' LEU . 12.1 mt -60.04 -40.49 89.57 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.612 0.642 . . . . 6.0 111.84 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.64 -45.35 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.786 0.721 . . . . 6.0 110.559 175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.3 -44.65 80.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.608 0.763 . . . . 6.0 111.098 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -63.02 -55.19 27.77 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.22 0.464 . . . . 6.0 110.901 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.38 -36.46 63.91 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.426 1.269 . . . . 6.0 114.426 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.38 -57.97 10.5 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.027 0.83 . . . . 6.0 110.509 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -41.31 68.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.936 1.295 . . . . 6.0 110.637 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.29 -36.73 82.15 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 122.075 -0.391 . . . . 6.0 111.715 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.953 0 O-C-N 120.741 -1.224 . . . . 6.0 108.557 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 N-CA-C 112.328 0.492 . . . . 6.0 112.328 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 62.4 Cg_exo -45.5 -25.24 2.13 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 126.261 4.641 . . . . 6.0 118.291 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.38 17.82 4.43 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.047 1.339 . . . . 6.0 114.435 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.7 t -53.81 -51.4 63.61 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.085 0.857 . . . . 6.0 110.887 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -38.21 74.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.511 1.524 . . . . 6.0 113.365 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 38.1 m -63.49 -50.39 69.83 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.285 1.034 . . . . 6.0 109.457 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.3 mmt -65.73 -42.77 90.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.102 1.361 . . . . 6.0 112.657 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.91 -42.79 85.48 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.352 0.978 . . . . 6.0 110.926 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.8 -39.92 91.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.412 0.685 . . . . 6.0 112.057 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.25 -46.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.031 0.932 . . . . 6.0 110.737 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.13 -46.71 86.0 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.659 1.184 . . . . 6.0 111.27 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.95 -42.26 89.39 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.779 -0.576 . . . . 6.0 111.04 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -60.05 -53.67 55.01 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.62 0.645 . . . . 6.0 109.672 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.8 mtp -52.57 -41.68 63.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.239 1.416 . . . . 6.0 112.4 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 125.593 1.557 . . . . 6.0 113.613 179.109 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 108.801 -0.814 . . . . 6.0 108.801 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.22 -42.8 20.9 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.542 2.053 . . . . 6.0 116.542 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -89.95 -21.97 22.18 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.73 -70.57 0.17 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.162 1.385 . . . . 6.0 113.807 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.04 69.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.478 -0.764 . . . . 6.0 112.297 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.477 ' HA ' HD22 ' B' ' 798' ' ' LEU . 54.8 m -64.28 -49.51 71.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.25 0.62 . . . . 6.0 111.068 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -60.26 -43.11 96.45 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.402 1.481 . . . . 6.0 112.173 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -52.42 -48.85 65.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.018 0.927 . . . . 6.0 110.881 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.68 -44.08 71.21 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.157 0.983 . . . . 6.0 112.292 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.99 -44.21 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.302 -0.874 . . . . 6.0 113.345 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.61 -43.07 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.695 1.198 . . . . 6.0 109.35 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.9 m -59.27 -27.28 65.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -67.69 -52.33 39.05 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.022 1.283 . . . . 6.0 110.868 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.79 -33.83 70.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.368 1.067 . . . . 6.0 112.4 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -65.29 -12.66 53.92 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.721 1.378 . . . . 6.0 114.721 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -128.23 -30.24 2.42 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.551 1.686 . . . . 6.0 115.551 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.8 t -69.51 143.64 53.39 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.743 1.156 . . . . 6.0 113.379 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.5 p -138.61 -6.85 1.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.427 1.891 . . . . 6.0 113.134 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -63.21 116.23 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.439 1.896 . . . . 6.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -65.55 -9.1 23.57 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.47 1.656 . . . . 6.0 115.47 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -124.1 14.23 9.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.785 1.234 . . . . 6.0 113.846 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.6 126.76 76.57 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 106.799 -1.556 . . . . 6.0 106.799 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -64.41 -38.62 32.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.049 1.833 . . . . 6.0 112.747 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.49 -47.65 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 118.682 -0.675 . . . . 6.0 110.252 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.714 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 72.5 m -70.0 -30.35 67.66 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.726 1.38 . . . . 6.0 114.726 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -38.37 -57.44 1.84 Allowed Pre-proline 0 N--CA 1.478 0.956 0 CA-C-N 121.052 1.751 . . . . 6.0 114.474 -175.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.2 -35.09 93.31 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 121.761 1.641 . . . . 6.0 113.579 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.26 -40.96 74.07 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.329 1.422 . . . . 6.0 110.667 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.714 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.3 mttt -61.89 -34.66 76.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.549 1.54 . . . . 6.0 109.551 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -69.17 -51.92 33.3 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.137 0.881 . . . . 6.0 110.007 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 126.778 2.031 . . . . 6.0 114.593 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 118.948 -0.549 . . . . 6.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -59.39 162.3 14.98 Favored 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 123.596 2.864 . . . . 6.0 114.07 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.23 112.57 2.45 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.007 2.123 . . . . 6.0 114.178 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -59.22 123.42 69.77 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 125.646 1.579 . . . . 6.0 111.268 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -51.92 125.46 17.22 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.388 2.725 . . . . 6.0 113.643 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -48.13 -41.31 26.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.218 1.807 . . . . 6.0 114.611 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.16 -25.46 64.38 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.41 1.084 . . . . 6.0 113.328 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.8 mt -90.05 -26.94 20.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.265 1.026 . . . . 6.0 112.056 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -56.28 -36.51 68.69 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.706 1.139 . . . . 6.0 112.015 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -72.73 -11.78 60.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 6.0 114.478 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.3 mt -70.49 138.47 51.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.577 1.08 . . . . 6.0 111.113 177.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -74.06 103.07 4.4 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.457 0.703 . . . . 6.0 110.308 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.3 p -87.09 -10.69 52.25 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.651 1.181 . . . . 6.0 114.071 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.94 -47.65 98.51 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 120.245 1.384 . . . . 6.0 113.681 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.48 -23.12 23.88 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.142 1.895 . . . . 6.0 111.475 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.7 mtt -67.54 -16.44 64.19 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.313 1.045 . . . . 6.0 113.333 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.04 -22.11 9.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.898 1.444 . . . . 6.0 114.898 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.1 pt -63.63 -28.99 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.122 0.874 . . . . 6.0 111.808 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.89 -13.63 50.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.902 1.681 . . . . 6.0 114.142 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . 0.414 ' HB2' HD21 ' A' ' 352' ' ' LEU . 16.6 ttp85 -47.01 -28.27 1.59 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.206 2.299 . . . . 6.0 117.206 -172.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -141.31 33.52 1.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.445 1.498 . . . . 6.0 112.116 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 7.5 m -126.61 19.94 7.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.151 1.537 . . . . 6.0 115.151 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.6 t -143.56 157.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.175 0.99 . . . . 6.0 112.419 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -123.05 82.75 2.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.862 2.065 . . . . 6.0 108.693 175.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.6 mt -47.63 -38.46 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.573 1.549 . . . . 6.0 112.46 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 76.6 mt-10 -89.67 -19.8 24.41 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.588 1.699 . . . . 6.0 115.588 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -100.19 -20.89 15.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.108 1.522 . . . . 6.0 115.108 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -42.68 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.513 1.125 . . . . 6.0 111.705 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.9 tpp . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 126.269 1.827 . . . . 6.0 115.824 -171.798 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.553 1.063 0 N-CA-C 115.621 1.711 . . . . 6.0 115.621 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.18 -42.38 33.18 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.855 3.703 . . . . 6.0 115.022 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.424 ' CD ' ' HE ' ' B' ' 807' ' ' ARG . 6.1 tp10 -67.33 -48.28 67.99 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.08 0.952 . . . . 6.0 111.839 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -64.64 -44.11 91.54 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.52 -0.738 . . . . 6.0 110.867 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -54.49 -43.7 72.01 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.548 1.539 . . . . 6.0 110.573 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -62.46 -47.36 84.36 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.071 0.948 . . . . 6.0 110.611 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.23 -47.96 81.88 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -43.25 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.323 1.42 . . . . 6.0 110.988 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -53.85 -46.72 71.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.166 0.894 . . . . 6.0 112.553 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.28 -47.58 83.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.056 0.943 . . . . 6.0 111.672 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.41 -43.23 98.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.553 1.07 . . . . 6.0 110.822 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.74 -56.72 14.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 6.0 110.439 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.428 HG21 HG23 ' B' ' 812' ' ' ILE . 24.4 t -62.26 -38.79 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 113.389 0.885 . . . . 6.0 113.389 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 381' ' ' LEU . 11.9 mt -60.42 -40.53 91.37 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.112 0.869 . . . . 6.0 111.152 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 23.5 mt -65.01 -44.51 88.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.741 0.701 . . . . 6.0 110.428 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 78.9 mt -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.795 0.838 . . . . 6.0 111.457 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -66.65 -56.73 9.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.7 0.4 . . . . 6.0 110.279 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.82 -41.69 61.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.572 1.549 . . . . 6.0 114.785 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -61.58 -52.86 62.67 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.41 1.005 . . . . 6.0 110.863 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -61.73 -35.46 78.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.288 0.635 . . . . 6.0 111.769 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.39 -37.78 88.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.221 1.009 . . . . 6.0 110.939 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 CA--C 1.548 0.886 0 O-C-N 120.963 -1.086 . . . . 6.0 109.536 173.744 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.553 1.081 0 N-CA-C 112.958 0.725 . . . . 6.0 112.958 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 63.7 Cg_exo -46.09 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 125.899 4.399 . . . . 6.0 118.161 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -131.5 23.04 4.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.676 1.191 . . . . 6.0 113.649 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.31 -47.86 68.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.828 0.851 . . . . 6.0 111.72 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.99 77.04 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.436 1.094 . . . . 6.0 112.919 176.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 61.1 m -63.22 -50.54 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.775 1.23 . . . . 6.0 108.963 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -64.69 -45.02 88.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.624 1.169 . . . . 6.0 112.681 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -57.13 -44.19 83.11 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.315 0.961 . . . . 6.0 111.32 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.57 -40.53 92.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.372 0.669 . . . . 6.0 112.143 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.03 -45.44 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.104 0.962 . . . . 6.0 110.844 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.36 -46.95 84.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.524 1.13 . . . . 6.0 111.295 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.08 -42.97 86.7 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.845 -0.534 . . . . 6.0 111.127 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -60.29 -52.57 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.223 0.609 . . . . 6.0 110.142 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 73.4 mtp -53.76 -37.58 63.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.32 1.448 . . . . 6.0 112.789 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.571 1.549 . . . . 6.0 113.608 178.514 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 108.408 -0.96 . . . . 6.0 108.408 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.56 -41.18 66.2 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -83.13 -21.43 33.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.5 t -61.32 -68.2 0.34 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.206 1.366 . . . . 6.0 112.832 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.63 76.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.349 0.87 . . . . 6.0 113.349 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . 0.486 ' HA ' HD22 ' B' ' 798' ' ' LEU . 28.4 p -64.84 -52.7 55.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.954 0.343 . . . . 6.0 110.474 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.2 m -54.37 -44.98 72.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.579 1.152 . . . . 6.0 112.523 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.5 -37.89 73.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 6.0 112.232 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 47.3 tp60 -76.03 -44.69 38.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.743 1.217 . . . . 6.0 112.306 174.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -44.21 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.167 1.387 . . . . 6.0 113.824 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.01 -44.73 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.973 1.309 . . . . 6.0 110.684 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 71.9 m -60.58 -21.4 62.57 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.658 1.725 . . . . 6.0 115.658 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -68.44 -55.56 11.45 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.539 1.518 . . . . 6.0 110.737 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -57.76 -32.02 67.07 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.017 1.327 . . . . 6.0 113.07 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.41 -12.53 61.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.835 1.42 . . . . 6.0 114.835 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -129.61 -30.93 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.466 1.654 . . . . 6.0 115.466 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.02 141.18 54.93 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.496 1.044 . . . . 6.0 112.971 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 64.7 p -134.5 -5.67 2.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.108 1.763 . . . . 6.0 113.413 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.48 118.81 8.05 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.75 1.62 . . . . 6.0 110.963 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -67.67 -8.81 37.98 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.349 1.611 . . . . 6.0 115.349 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.61 15.65 8.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.051 1.34 . . . . 6.0 113.317 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.85 127.62 68.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 107.692 -1.225 . . . . 6.0 107.692 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -61.3 -39.35 58.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.939 1.759 . . . . 6.0 112.055 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.12 -52.13 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.376 1.071 . . . . 6.0 111.582 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.702 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.9 m -70.28 -29.05 65.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 69.7 tp -42.48 -53.8 8.84 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 121.112 1.778 . . . . 6.0 115.042 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.01 -36.04 98.33 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.166 1.809 . . . . 6.0 113.203 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 -41.95 64.37 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.607 1.549 . . . . 6.0 111.478 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.702 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.6 mttt -62.13 -30.99 71.41 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.533 1.533 . . . . 6.0 109.741 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -77.33 -46.16 23.82 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.002 1.321 . . . . 6.0 110.547 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.543 1.937 . . . . 6.0 113.387 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 119.038 -0.506 . . . . 6.0 111.225 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.57 162.1 10.96 Favored 'Trans proline' 0 CA--C 1.55 1.297 0 C-N-CA 123.314 2.676 . . . . 6.0 114.251 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.22 109.5 1.14 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.743 2.017 . . . . 6.0 113.215 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 791' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' B' ' 792' ' ' PRO . 10.8 tp -61.56 139.29 95.11 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.994 1.317 . . . . 6.0 112.718 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 792' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' B' ' 791' ' ' LEU . 71.1 Cg_endo -69.62 121.14 7.86 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.758 2.972 . . . . 6.0 112.99 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -51.12 -36.64 41.62 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.072 1.349 . . . . 6.0 114.51 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.4 -31.69 73.01 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.615 -0.678 . . . . 6.0 112.725 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.98 -28.14 19.32 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.551 0.74 . . . . 6.0 112.861 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -54.79 -31.32 58.81 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.829 1.195 . . . . 6.0 112.766 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.49 -13.43 61.42 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.057 1.343 . . . . 6.0 114.061 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 798' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 410' ' ' SER . 52.5 mt -68.67 131.75 45.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.651 1.114 . . . . 6.0 111.377 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -72.33 111.93 7.96 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.141 -1.059 . . . . 6.0 108.141 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -89.42 -6.56 56.44 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.94 1.459 . . . . 6.0 114.94 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -57.65 -43.66 98.96 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.89 1.223 . . . . 6.0 112.969 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.59 -37.92 66.0 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.216 1.944 . . . . 6.0 112.062 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -17.07 60.96 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.788 1.033 . . . . 6.0 113.788 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -53.52 -24.13 12.45 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.288 1.404 . . . . 6.0 113.923 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -65.57 -28.4 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.315 0.961 . . . . 6.0 112.089 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -86.57 -10.69 53.44 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.427 1.891 . . . . 6.0 114.544 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 807' ' ' ARG . . . . . 0.424 ' HE ' ' CD ' ' A' ' 348' ' ' GLU . 4.7 ttt-85 -48.16 -24.8 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 117.833 2.531 . . . . 6.0 117.833 -173.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -140.95 35.48 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.86 1.264 . . . . 6.0 111.668 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.3 m -131.73 19.87 4.65 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.509 1.67 . . . . 6.0 115.509 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.6 152.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.752 0.821 . . . . 6.0 112.237 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -123.21 85.36 2.41 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.711 2.004 . . . . 6.0 108.408 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 812' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -46.13 -39.72 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.102 1.761 . . . . 6.0 112.839 -173.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 813' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.2 mt-10 -86.45 -19.89 28.95 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.924 1.824 . . . . 6.0 115.924 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.43 -24.77 17.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.536 1.31 . . . . 6.0 114.536 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -40.45 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.705 1.202 . . . . 6.0 112.388 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 15.4 tpp . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 6.0 113.843 -174.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 113.544 0.942 . . . . 6.0 113.544 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 60.4 p -136.52 -15.3 1.64 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.627 1.571 . . . . 6.0 114.105 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -76.7 176.25 52.79 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.302 0.953 . . . . 6.0 112.855 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -59.43 -16.13 33.72 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.913 3.075 . . . . 6.0 114.713 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 31.1 p -74.47 -15.36 60.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.489 1.515 . . . . 6.0 113.695 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -137.87 -37.37 0.59 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.662 1.185 . . . . 6.0 114.17 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.7 t0 20.05 86.64 0.07 OUTLIER Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 130.329 3.452 . . . . 6.0 115.597 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -48.32 -39.67 35.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.818 3.678 . . . . 6.0 115.416 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.73 -51.34 57.02 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.174 0.989 . . . . 6.0 110.987 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -64.24 -44.48 91.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.108 0.963 . . . . 6.0 111.783 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.94 -45.08 60.48 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.681 1.592 . . . . 6.0 110.886 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -67.18 -39.28 86.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.658 0.783 . . . . 6.0 112.246 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 807' ' ' ARG . 41.7 mt -60.13 -47.79 84.44 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -42.22 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.434 1.47 . . . . 6.0 110.865 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -54.21 -48.03 71.48 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.31 0.959 . . . . 6.0 112.698 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.02 -47.66 83.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.166 0.986 . . . . 6.0 111.728 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -63.77 -44.36 93.66 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.369 0.986 . . . . 6.0 111.162 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.34 -56.81 13.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.811 0.845 . . . . 6.0 109.998 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.419 HG21 HG23 ' B' ' 812' ' ' ILE . 24.2 t -60.75 -40.33 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 113.345 0.869 . . . . 6.0 113.345 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.78 -40.45 83.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.048 0.84 . . . . 6.0 111.507 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.94 -43.96 86.51 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.495 0.589 . . . . 6.0 110.877 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.32 -42.98 82.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.098 0.559 . . . . 6.0 111.336 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -62.45 -59.06 5.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.068 0.461 . . . . 6.0 110.011 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.87 67.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -55.7 -52.8 62.66 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 120.397 1.453 . . . . 6.0 111.489 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.12 -33.52 50.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 6.0 111.279 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.59 -35.49 79.71 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.976 0.807 . . . . 6.0 111.728 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.98 -40.93 95.34 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.41 -1.431 . . . . 6.0 110.234 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -65.1 -45.53 84.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.966 1.307 . . . . 6.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -57.94 -46.01 85.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.986 2.114 . . . . 6.0 111.708 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -68.25 -48.63 64.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.352 1.461 . . . . 6.0 111.916 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -62.66 -32.59 73.68 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.766 0.827 . . . . 6.0 112.557 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.29 44.12 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.372 0.879 . . . . 6.0 113.372 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -132.42 33.72 3.8 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.169 1.788 . . . . 6.0 110.537 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 71.64 -76.37 0.67 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.988 2.232 . . . . 6.0 114.985 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -154.63 28.77 0.43 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.856 1.262 . . . . 6.0 112.238 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.11 137.99 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 120.834 -1.166 . . . . 6.0 113.988 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.94 29.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.633 1.573 . . . . 6.0 113.033 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.68 63.52 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.75 1.759 . . . . 6.0 115.75 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.5 t -83.58 -177.89 6.86 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.034 1.124 . . . . 6.0 114.034 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 90.8 p -154.14 -4.0 0.17 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.559 2.059 . . . . 6.0 116.559 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -61.18 124.98 82.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 120.705 1.593 . . . . 6.0 110.934 179.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.8 Cg_exo -46.22 -26.33 3.74 Favored 'Trans proline' 0 C--N 1.354 0.86 1 C-N-CA 125.785 4.323 . . . . 6.0 118.218 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.77 18.82 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.279 1.432 . . . . 6.0 113.552 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.04 -51.96 60.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.759 0.79 . . . . 6.0 110.097 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.11 78.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.688 1.595 . . . . 6.0 113.481 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 33.0 m -62.98 -49.81 73.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.167 0.987 . . . . 6.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.2 mmt -65.37 -45.68 83.15 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.079 0.952 . . . . 6.0 111.461 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -55.11 -41.96 72.31 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.965 1.257 . . . . 6.0 111.94 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -63.34 -46.14 88.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.12 0.568 . . . . 6.0 111.604 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.58 -41.33 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.56 1.144 . . . . 6.0 111.85 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.21 -48.79 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.51 1.924 . . . . 6.0 112.334 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -58.86 -39.91 82.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.818 -0.551 . . . . 6.0 110.669 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -62.5 -53.37 55.73 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.987 0.915 . . . . 6.0 110.635 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 57.9 mtp -52.17 -35.83 49.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.398 1.879 . . . . 6.0 113.632 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 27.6 m -64.23 -13.59 50.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.883 1.273 . . . . 6.0 113.051 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -129.99 -18.77 3.32 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.821 1.248 . . . . 6.0 114.231 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.49 134.77 57.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.771 1.228 . . . . 6.0 112.983 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -123.47 -0.67 8.68 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.549 1.54 . . . . 6.0 113.38 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.13 -20.23 49.12 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.828 0.851 . . . . 6.0 113.131 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 40.47 -114.67 0.55 Allowed Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.518 2.009 . . . . 6.0 114.702 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -55.31 -12.49 1.04 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.254 1.946 . . . . 6.0 116.254 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -120.17 9.56 11.14 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.873 1.669 . . . . 6.0 113.614 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.54 148.57 41.69 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.63 1.172 . . . . 6.0 113.085 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -80.21 -16.13 55.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.085 1.354 . . . . 6.0 113.544 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.13 110.2 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.088 0.955 . . . . 6.0 109.148 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.95 62.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -81.42 -26.16 35.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.556 1.317 . . . . 6.0 114.556 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.43 -68.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.929 1.695 . . . . 6.0 113.91 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.96 -35.83 75.81 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.57 -0.706 . . . . 6.0 112.193 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.518 ' HA ' HD22 ' B' ' 798' ' ' LEU . 48.0 t -62.12 -52.72 62.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.694 0.797 . . . . 6.0 110.454 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 72.8 m -58.47 -45.35 88.79 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.708 1.603 . . . . 6.0 112.317 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -56.21 -43.14 78.24 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.488 -0.757 . . . . 6.0 111.83 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -72.65 -41.95 64.9 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.81 0.67 . . . . 6.0 112.81 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -61.07 -41.64 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.075 -1.016 . . . . 6.0 113.221 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.96 -47.21 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.714 1.206 . . . . 6.0 110.345 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.5 m -56.48 -25.76 52.13 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.037 1.495 . . . . 6.0 115.037 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -69.25 -61.21 1.88 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.647 1.112 . . . . 6.0 110.441 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -57.43 -32.31 66.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.939 1.295 . . . . 6.0 112.566 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -57.63 -22.38 45.16 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.566 1.321 . . . . 6.0 114.566 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -129.3 -28.36 2.34 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -172.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.405 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 14.0 t -66.43 139.2 57.97 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.727 1.149 . . . . 6.0 113.213 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.2 p -133.22 -5.2 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.94 1.696 . . . . 6.0 113.525 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.18 116.79 4.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.587 1.555 . . . . 6.0 110.923 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -66.02 -8.23 21.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.724 1.75 . . . . 6.0 115.724 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -127.12 15.0 7.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.952 1.301 . . . . 6.0 113.558 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.09 127.13 69.1 Favored Pre-proline 0 CA--C 1.55 0.946 0 N-CA-C 107.109 -1.441 . . . . 6.0 107.109 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.92 -43.1 32.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.233 1.955 . . . . 6.0 111.683 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.31 -51.67 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-O 117.888 -1.053 . . . . 6.0 111.217 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.501 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 73.6 m -69.97 -29.04 66.06 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.639 1.718 . . . . 6.0 115.639 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 65.2 tp -41.77 -54.26 7.02 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 121.133 1.788 . . . . 6.0 115.275 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.23 -34.35 98.49 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 CA-C-N 122.088 1.782 . . . . 6.0 113.261 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.31 -43.38 56.98 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.939 1.245 . . . . 6.0 111.4 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.501 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.7 mttt -60.43 -31.59 70.55 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.3 1.44 . . . . 6.0 109.905 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -77.68 -45.12 25.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.604 1.561 . . . . 6.0 110.632 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -56.16 -24.17 39.54 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.922 1.689 . . . . 6.0 113.343 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 75.9 p -113.38 10.49 18.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.615 1.966 . . . . 6.0 113.982 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.16 155.0 34.98 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.81 1.244 . . . . 6.0 112.114 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.26 -21.39 62.11 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.802 1.408 . . . . 6.0 114.802 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 . . . . . 0 N--CA 1.482 1.132 0 C-N-CA 125.39 1.476 . . . . 6.0 112.59 -179.254 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 N-CA-C 114.695 0.638 . . . . 6.0 114.695 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 64.5 p -68.49 -23.34 64.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.184 1.394 . . . . 6.0 114.135 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -147.94 -32.94 0.26 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.912 1.685 . . . . 6.0 111.889 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 58.7 ttm -151.82 147.5 26.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.24 1.816 . . . . 6.0 109.136 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 28.5 m -62.49 146.09 94.03 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 123.522 0.729 . . . . 6.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -73.0 153.57 52.49 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.863 2.375 . . . . 6.0 112.122 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.48 114.77 18.75 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.471 1.508 . . . . 6.0 111.439 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -58.53 163.05 11.26 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 C-N-CA 123.152 2.568 . . . . 6.0 113.522 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.77 103.86 0.38 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.533 1.933 . . . . 6.0 113.878 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.37 124.43 39.85 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.116 1.766 . . . . 6.0 109.796 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -55.05 122.5 11.81 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.612 2.208 . . . . 6.0 112.814 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -54.52 -34.3 61.47 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.461 1.282 . . . . 6.0 114.461 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.24 -25.99 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.555 -0.715 . . . . 6.0 112.749 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.99 -23.17 21.58 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.24 1.016 . . . . 6.0 112.14 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -58.38 -34.38 70.65 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.064 1.302 . . . . 6.0 111.159 174.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.84 -23.29 67.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.429 1.491 . . . . 6.0 113.734 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.3 mt -70.67 121.97 18.92 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.47 0.708 . . . . 6.0 110.523 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -68.65 117.95 11.03 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.899 -1.148 . . . . 6.0 107.899 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.11 -5.11 58.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.588 1.555 . . . . 6.0 114.916 -177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.16 -44.68 99.82 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 120.082 1.31 . . . . 6.0 113.159 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.61 -36.6 74.84 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.267 1.978 . . . . 6.0 111.894 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -17.35 64.32 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.779 1.029 . . . . 6.0 113.779 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.78 -24.69 9.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.33 1.423 . . . . 6.0 114.09 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.13 -27.45 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 118.793 0.724 . . . . 6.0 112.36 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.5 -10.17 54.67 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.466 1.907 . . . . 6.0 114.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 352' ' ' LEU . 35.1 tpt85 -47.71 -24.71 1.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.249 2.315 . . . . 6.0 117.249 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -141.5 34.58 1.65 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.641 1.177 . . . . 6.0 111.553 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.2 m -131.2 20.77 4.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -143.29 156.98 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.845 0.858 . . . . 6.0 112.755 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -124.34 83.11 2.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.393 2.277 . . . . 6.0 109.53 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.419 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.19 -38.26 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.209 1.403 . . . . 6.0 112.662 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.4 mt-10 -89.53 -19.94 24.41 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.245 1.942 . . . . 6.0 116.245 -177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -102.8 -17.12 15.71 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.653 1.353 . . . . 6.0 114.653 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -43.06 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.085 0.954 . . . . 6.0 111.163 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 14.8 tpp -59.94 138.55 90.73 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.529 1.531 . . . . 6.0 113.814 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.97 16.29 0.55 Allowed 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 124.124 3.216 . . . . 6.0 114.28 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.264 0.8 OUTLIER 47.68 30.79 1.89 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 127.918 2.487 . . . . 6.0 116.401 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -79.27 -80.22 0.78 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.065 0.841 . . . . 6.0 113.549 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -159.04 151.58 17.87 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 125.852 1.661 . . . . 6.0 111.227 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.41 -45.56 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.186 1.924 . . . . 6.0 112.732 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.99 -24.16 66.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -63.07 -14.96 54.65 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.646 2.778 . . . . 6.0 111.598 175.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -55.34 -21.08 13.67 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.275 1.583 . . . . 6.0 115.275 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.05 -30.29 37.73 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-N 119.439 1.018 . . . . 6.0 114.87 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -133.02 -21.63 2.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.56 -21.95 61.81 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.815 1.413 . . . . 6.0 114.815 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 23.3 p -78.37 -54.4 6.23 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.328 1.973 . . . . 6.0 116.328 -172.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -171.45 173.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.453 2.301 . . . . 6.0 109.25 -175.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -134.45 166.88 21.84 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -52.7 -35.53 55.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.362 1.616 . . . . 6.0 115.362 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.88 -31.81 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.617 0.767 . . . . 6.0 111.245 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -22.31 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.072 2.149 . . . . 6.0 113.524 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.62 5.42 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.043 1.337 . . . . 6.0 113.201 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 2.4 t 52.92 53.36 12.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.8 1.64 . . . . 6.0 113.791 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -46.67 117.9 4.66 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.775 1.63 . . . . 6.0 112.021 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.55 -25.62 7.91 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.162 2.574 . . . . 6.0 115.23 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.459 1.104 . . . . 6.0 112.884 -178.734 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 113.675 0.991 . . . . 6.0 113.675 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.2 p -72.95 -17.75 61.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.467 1.507 . . . . 6.0 114.209 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -167.53 57.67 0.22 Allowed Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.402 -1.221 . . . . 6.0 115.157 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.66 -15.67 32.64 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.756 2.971 . . . . 6.0 115.45 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 81.5 p -124.26 13.66 8.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.994 1.718 . . . . 6.0 112.577 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -72.73 145.75 46.91 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.667 1.187 . . . . 6.0 114.079 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -161.46 97.96 1.27 Allowed Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.494 1.918 . . . . 6.0 107.822 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.55 -43.74 43.6 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.162 3.241 . . . . 6.0 115.68 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -71.02 -48.88 50.47 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.421 -0.799 . . . . 6.0 112.001 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.74 97.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.872 -0.517 . . . . 6.0 110.843 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -54.81 -46.4 74.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.407 1.483 . . . . 6.0 110.989 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.25 -34.78 79.18 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.502 -0.761 . . . . 6.0 112.122 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.14 -48.44 80.11 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.697 1.135 . . . . 6.0 113.426 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.71 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.494 1.497 . . . . 6.0 110.806 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -56.95 -47.18 81.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.697 1.135 . . . . 6.0 112.078 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.26 -46.48 80.33 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.007 0.923 . . . . 6.0 111.988 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.16 -44.9 94.19 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.406 1.457 . . . . 6.0 110.595 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.6 tp -53.07 -56.91 12.59 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 6.0 110.706 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.418 HG21 HG23 ' B' ' 812' ' ' ILE . 22.9 t -60.52 -38.57 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.64 -38.12 80.51 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.227 0.921 . . . . 6.0 111.293 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.61 -44.73 81.27 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.881 0.764 . . . . 6.0 110.515 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.68 -43.47 76.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.956 0.502 . . . . 6.0 110.72 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -64.1 -58.36 6.88 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.866 0.466 . . . . 6.0 110.937 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.09 -33.64 62.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.904 1.075 . . . . 6.0 113.904 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -57.63 -58.77 6.87 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.117 0.872 . . . . 6.0 109.804 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.9 -41.21 95.62 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.991 1.316 . . . . 6.0 112.084 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.2 t -62.45 -42.34 99.39 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.262 1.025 . . . . 6.0 111.639 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.26 -19.71 65.57 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.022 1.329 . . . . 6.0 111.934 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -87.92 -9.98 51.96 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.517 1.527 . . . . 6.0 114.164 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -51.24 -43.17 61.44 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.252 1.842 . . . . 6.0 112.534 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -77.46 -14.92 59.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.076 1.139 . . . . 6.0 114.076 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -89.54 -39.08 13.53 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.457 1.503 . . . . 6.0 110.86 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -89.99 -17.22 28.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -138.41 -63.6 0.55 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.432 1.271 . . . . 6.0 114.432 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 165.32 178.05 38.18 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.828 0.728 . . . . 6.0 113.42 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.78 65.71 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 127.69 2.396 . . . . 6.0 117.348 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.72 137.4 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.189 1.796 . . . . 6.0 110.695 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.6 45.79 1.6 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.293 1.837 . . . . 6.0 111.617 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.16 12.18 0.09 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 127.852 2.461 . . . . 6.0 116.674 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 15.0 t -62.03 168.65 3.11 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.966 1.707 . . . . 6.0 114.929 -177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.4 m -143.09 3.8 1.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.911 2.085 . . . . 6.0 115.288 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.695 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -59.62 124.49 76.13 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 121.118 1.781 . . . . 6.0 109.76 178.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.695 ' HD2' HD13 ' A' ' 381' ' ' LEU . 32.8 Cg_exo -43.24 -32.03 2.98 Favored 'Trans proline' 0 C--N 1.353 0.789 1 C-N-CA 125.721 4.28 . . . . 6.0 118.862 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -129.97 23.54 5.31 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.815 1.246 . . . . 6.0 112.944 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.19 -47.09 75.74 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.78 0.832 . . . . 6.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -36.08 79.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.49 1.116 . . . . 6.0 112.918 176.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 23.1 m -62.45 -49.52 75.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.847 1.259 . . . . 6.0 109.323 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.72 -47.37 75.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.048 0.939 . . . . 6.0 111.777 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -54.34 -43.55 71.34 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.69 1.132 . . . . 6.0 111.669 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -62.11 -46.76 87.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.121 0.568 . . . . 6.0 111.512 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.31 -36.61 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.449 1.1 . . . . 6.0 111.974 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.22 -48.3 57.65 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.874 1.67 . . . . 6.0 112.282 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.97 -40.64 94.16 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.934 -0.479 . . . . 6.0 110.322 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -60.85 -52.18 66.16 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.137 0.975 . . . . 6.0 110.903 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -34.65 46.73 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.078 1.751 . . . . 6.0 113.48 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 24.5 m -65.8 -8.75 23.29 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.388 1.075 . . . . 6.0 113.481 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -129.36 -25.11 2.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.228 1.411 . . . . 6.0 112.94 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 50.2 t -62.09 141.74 57.96 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.036 1.334 . . . . 6.0 112.146 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -130.75 8.75 4.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.2 1.8 . . . . 6.0 113.246 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 3.91 13.36 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.574 1.694 . . . . 6.0 115.574 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.37 -139.63 41.35 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 120.965 -1.084 . . . . 6.0 113.848 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -78.1 17.69 0.58 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.928 1.291 . . . . 6.0 113.698 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -130.89 14.71 5.28 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.046 1.499 . . . . 6.0 115.046 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.15 151.96 17.92 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.519 1.128 . . . . 6.0 113.777 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -69.79 -27.16 64.67 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.394 1.478 . . . . 6.0 111.678 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.5 109.77 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.23 -1.026 . . . . 6.0 108.23 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.11 21.39 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.384 1.624 . . . . 6.0 115.384 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -88.66 -19.96 25.52 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.455 1.279 . . . . 6.0 114.455 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 14.8 t -67.03 -64.4 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.04 1.291 . . . . 6.0 110.87 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.305 0.854 . . . . 6.0 113.305 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 10.5 p -70.23 -52.1 25.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 119.139 -0.458 . . . . 6.0 111.013 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -51.87 -49.03 63.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.134 0.974 . . . . 6.0 112.141 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -47.51 -41.4 20.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.694 1.998 . . . . 6.0 112.524 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -84.01 -42.36 16.28 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.155 1.382 . . . . 6.0 112.93 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 414' ' ' ILE . 1.8 tt -58.92 -43.95 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.641 1.176 . . . . 6.0 112.91 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.6 mt -58.11 -44.92 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.962 1.705 . . . . 6.0 109.747 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.0 m -57.9 -24.84 59.53 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.749 1.389 . . . . 6.0 114.749 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -72.34 -55.12 7.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.253 1.388 . . . . 6.0 110.652 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -59.19 -31.26 68.85 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.986 1.314 . . . . 6.0 112.689 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.42 -14.09 61.67 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.193 1.397 . . . . 6.0 114.409 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -131.35 -31.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.849 1.796 . . . . 6.0 115.849 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.9 t -68.77 138.88 55.19 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.557 1.071 . . . . 6.0 113.479 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 65.6 p -132.14 -3.12 3.53 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.68 1.992 . . . . 6.0 112.819 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 22.8 ttp-105 -60.94 106.45 0.58 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.894 2.477 . . . . 6.0 110.869 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -64.9 -1.83 2.25 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.664 1.727 . . . . 6.0 115.664 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.25 17.38 4.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.305 1.442 . . . . 6.0 112.756 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 26.3 t -58.28 125.85 76.48 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.551 1.54 . . . . 6.0 109.986 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -40.62 56.66 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.295 2.664 . . . . 6.0 113.223 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 52.5 t -88.75 -49.17 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 117.07 -1.443 . . . . 6.0 112.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.568 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 37.0 m -71.42 -25.75 62.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 121.854 2.115 . . . . 6.0 115.631 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -39.26 -55.26 3.19 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 121.042 1.746 . . . . 6.0 114.885 -175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.98 -36.14 90.86 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.338 2.025 . . . . 6.0 113.451 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.76 -40.75 72.48 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.424 1.465 . . . . 6.0 111.198 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.568 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 40.1 mttt -64.61 -30.99 72.02 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.109 1.364 . . . . 6.0 109.531 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -73.37 -46.7 47.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.776 0.83 . . . . 6.0 109.846 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.93 -15.74 2.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.035 1.734 . . . . 6.0 114.228 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 80.7 p -132.53 -1.41 3.49 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.366 1.987 . . . . 6.0 116.366 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -153.58 33.78 0.45 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.05 1.13 . . . . 6.0 114.05 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -64.66 -9.24 18.29 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.258 -1.526 . . . . 6.0 114.672 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 128.808 2.843 . . . . 6.0 113.156 179.801 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.373 0 N-CA-C 114.508 0.563 . . . . 6.0 114.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 35.8 t -142.27 153.05 43.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.871 1.668 . . . . 6.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -58.59 -18.49 30.46 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.695 1.739 . . . . 6.0 115.695 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 11.7 tpt -69.42 -9.34 53.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.266 1.21 . . . . 6.0 114.266 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.83 157.67 64.07 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.231 2.212 . . . . 6.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.42 143.07 81.3 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 121.72 1.614 . . . . 6.0 109.884 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -52.34 109.84 1.62 Allowed Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.991 1.316 . . . . 6.0 112.954 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.52 162.03 25.78 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.786 2.324 . . . . 6.0 113.495 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.11 97.18 0.36 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.942 1.697 . . . . 6.0 114.292 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.3 tt -44.72 126.13 5.06 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 127.431 2.292 . . . . 6.0 111.5 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -52.46 125.95 19.26 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.409 2.739 . . . . 6.0 113.986 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -54.9 -33.8 62.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.787 1.235 . . . . 6.0 114.108 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.66 -28.24 67.54 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.131 -0.981 . . . . 6.0 112.001 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.11 -24.0 21.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.691 1.197 . . . . 6.0 112.832 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -52.76 -41.73 64.33 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 120.032 1.287 . . . . 6.0 111.77 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -69.38 -13.85 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.881 1.672 . . . . 6.0 114.556 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 31.6 mt -70.24 130.62 42.5 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.547 1.067 . . . . 6.0 111.128 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -71.14 105.75 3.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.694 0.798 . . . . 6.0 110.157 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.74 -9.02 53.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.051 1.34 . . . . 6.0 114.359 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.81 -46.2 99.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.249 1.386 . . . . 6.0 113.845 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.63 -23.63 26.64 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 121.844 1.696 . . . . 6.0 111.356 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.5 mtt -68.41 -16.79 64.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.356 1.062 . . . . 6.0 113.155 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.05 -24.45 6.74 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.339 1.237 . . . . 6.0 114.339 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.8 pt -63.56 -30.15 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 119.172 0.897 . . . . 6.0 112.174 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -83.7 -12.68 55.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.776 1.631 . . . . 6.0 114.519 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -48.17 -28.23 2.85 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 116.063 1.875 . . . . 6.0 116.063 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -134.07 35.21 3.29 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.553 1.069 . . . . 6.0 112.112 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -135.13 19.77 3.43 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.33 1.974 . . . . 6.0 116.33 -172.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.66 156.03 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.22 0.918 . . . . 6.0 112.686 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -123.85 86.43 2.57 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.54 2.336 . . . . 6.0 108.863 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -48.7 -36.59 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.89 1.276 . . . . 6.0 112.908 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.9 mt-10 -92.62 -20.01 21.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.315 1.968 . . . . 6.0 116.315 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -99.53 -18.0 17.61 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.758 1.392 . . . . 6.0 114.758 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -42.68 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.633 1.173 . . . . 6.0 111.869 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' B' ' 817' ' ' PRO . 24.9 tpp -61.11 140.31 94.2 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 126.159 1.784 . . . . 6.0 114.771 -172.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 816' ' ' MET . 37.9 Cg_exo -61.03 -7.54 8.11 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.858 3.039 . . . . 6.0 115.618 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 63.5 t30 54.87 37.33 28.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.954 2.102 . . . . 6.0 114.293 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -92.65 -61.54 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.142 0.877 . . . . 6.0 112.775 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -166.27 155.29 10.2 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.389 1.876 . . . . 6.0 111.714 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.64 -36.62 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.157 1.904 . . . . 6.0 111.505 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.1 -11.48 40.32 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.271 1.828 . . . . 6.0 113.117 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -11.42 18.32 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 129.187 2.995 . . . . 6.0 112.548 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -42.16 -34.17 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.209 2.203 . . . . 6.0 114.583 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -58.84 -24.99 58.49 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.281 1.42 . . . . 6.0 115.25 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -125.87 -21.92 4.28 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.601 1.56 . . . . 6.0 113.122 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.04 -28.78 69.83 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.494 1.518 . . . . 6.0 113.422 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 15.0 t -153.93 171.7 18.59 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.554 0.946 . . . . 6.0 113.554 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . 0.624 HG13 ' HB3' ' B' ' 833' ' ' TYR . 81.7 t -14.07 114.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.018 1 C-N-CA 131.992 4.117 . . . . 6.0 113.689 174.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.93 -148.22 0.26 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 113.915 1.08 . . . . 6.0 113.915 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.6 -21.64 7.05 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 120.067 -1.646 . . . . 6.0 115.22 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 19.3 m -92.13 7.09 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.003 1.321 . . . . 6.0 113.235 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . 0.624 ' HB3' HG13 ' B' ' 829' ' ' VAL . 7.7 m-85 -124.62 -27.11 3.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.303 1.841 . . . . 6.0 115.592 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 9.7 m -69.28 77.93 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.752 1.221 . . . . 6.0 112.611 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 52.0 p 55.36 3.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 129.373 3.069 . . . . 6.0 117.399 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -147.03 155.42 47.27 Favored Pre-proline 0 N--CA 1.469 0.504 0 C-N-CA 127.601 2.361 . . . . 6.0 110.647 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -75.34 -1.95 11.95 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 123.672 2.915 . . . . 6.0 113.257 175.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 127.564 2.346 . . . . 6.0 113.961 -178.849 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.884 1.068 . . . . 6.0 113.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 73.7 p -68.14 -28.81 67.64 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.009 1.115 . . . . 6.0 114.009 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 165.51 -177.03 40.96 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.515 1.531 . . . . 6.0 112.558 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.8 -23.2 62.92 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.14 2.56 . . . . 6.0 113.078 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.6 p -69.51 -13.23 62.23 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.707 1.603 . . . . 6.0 113.782 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -67.25 -33.14 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.087 1.143 . . . . 6.0 114.087 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 27.2 t0 20.31 81.91 0.12 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 129.276 3.03 . . . . 6.0 114.88 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.15 -43.05 26.16 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.882 3.722 . . . . 6.0 114.919 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.54 -48.01 65.41 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.708 0.803 . . . . 6.0 111.804 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.36 -46.38 88.92 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.753 -0.592 . . . . 6.0 110.653 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -50.65 -45.67 58.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.483 1.513 . . . . 6.0 110.515 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -61.67 -44.95 95.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.106 0.963 . . . . 6.0 111.746 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.27 -51.43 69.82 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.692 1.367 . . . . 6.0 114.692 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -41.06 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 120.248 1.386 . . . . 6.0 110.999 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.22 -45.9 79.72 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.553 1.07 . . . . 6.0 112.124 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.18 -47.29 80.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.11 0.964 . . . . 6.0 112.089 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.17 -43.68 97.55 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.885 1.221 . . . . 6.0 110.696 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -53.42 56.91 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.541 0.736 . . . . 6.0 110.622 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.65 -39.06 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 113.33 0.863 . . . . 6.0 113.33 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.15 -40.24 89.14 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.294 0.952 . . . . 6.0 110.91 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.0 -45.78 84.17 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.896 0.478 . . . . 6.0 110.115 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.81 -35.16 70.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 6.0 112.541 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -69.8 -58.45 3.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.788 0.722 . . . . 6.0 109.887 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.97 64.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.281 . . . . 6.0 113.974 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -53.38 6.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.641 1.976 . . . . 6.0 112.388 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.14 -29.75 18.09 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.517 1.127 . . . . 6.0 112.291 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.13 -37.19 79.31 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.263 1.03 . . . . 6.0 111.285 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -59.28 -29.12 67.35 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.696 1.598 . . . . 6.0 112.042 173.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -89.99 -40.02 12.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 6.0 112.338 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -62.23 -35.03 77.66 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 119.456 1.025 . . . . 6.0 111.371 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.89 -42.1 86.09 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.135 0.974 . . . . 6.0 111.433 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.3 -32.51 73.26 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.113 -0.992 . . . . 6.0 111.583 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.68 -9.97 57.74 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.036 1.335 . . . . 6.0 113.771 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -138.35 81.24 1.84 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.911 1.684 . . . . 6.0 110.381 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -49.83 -22.72 4.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 125.154 1.359 . . . . 6.0 116.334 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -77.38 4.23 11.36 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 116.281 1.956 . . . . 6.0 116.281 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -142.73 142.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.88 1.272 . . . . 6.0 112.868 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 10.6 2.28 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.15 1.38 . . . . 6.0 113.806 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -164.07 160.83 22.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.593 1.557 . . . . 6.0 112.236 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 17.1 p -143.08 -173.09 3.82 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.858 1.663 . . . . 6.0 112.173 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.8 m -63.11 -17.56 62.44 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 116.971 2.212 . . . . 6.0 116.971 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.665 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -68.57 122.0 83.01 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 120.677 1.58 . . . . 6.0 111.929 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.665 ' HD2' HD13 ' A' ' 381' ' ' LEU . 71.1 Cg_exo -47.02 -27.65 6.28 Favored 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 125.591 4.194 . . . . 6.0 118.392 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.3 22.23 5.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.232 1.413 . . . . 6.0 113.978 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.76 -50.74 69.59 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.288 -0.882 . . . . 6.0 112.319 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -27.14 66.66 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.676 -1.265 . . . . 6.0 113.4 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -63.3 -50.18 71.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.608 1.563 . . . . 6.0 108.535 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.29 -44.44 83.51 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.376 1.071 . . . . 6.0 112.253 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.51 -43.72 84.45 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 119.277 0.944 . . . . 6.0 111.929 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -65.42 -41.32 93.69 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.526 0.73 . . . . 6.0 111.56 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 13.4 t -64.43 -45.65 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.112 0.965 . . . . 6.0 110.69 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.63 -47.39 78.72 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 6.0 111.883 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.56 -42.8 83.75 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.929 -0.482 . . . . 6.0 110.988 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -60.74 -53.48 56.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.648 0.779 . . . . 6.0 110.531 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.1 mtp -52.66 -38.9 61.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.741 1.616 . . . . 6.0 112.954 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 11.1 m -61.65 -14.22 29.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.018 1.327 . . . . 6.0 113.54 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -128.72 -14.86 4.51 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.124 1.157 . . . . 6.0 114.124 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.1 t -66.01 129.0 38.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.785 1.634 . . . . 6.0 113.31 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -108.45 -8.74 15.51 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.716 1.206 . . . . 6.0 113.663 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.57 54.7 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.547 0.943 . . . . 6.0 113.547 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 36.34 -105.61 0.03 OUTLIER Glycine 0 CA--C 1.535 1.298 0 C-N-CA 126.964 2.221 . . . . 6.0 115.508 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -55.51 -13.08 1.34 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.898 1.814 . . . . 6.0 115.898 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -124.29 9.5 8.56 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.516 1.926 . . . . 6.0 113.524 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 49.1 t -61.03 148.17 41.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.906 1.283 . . . . 6.0 113.678 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -80.37 -22.53 41.27 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.562 1.545 . . . . 6.0 112.602 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.3 108.49 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.26 0.936 . . . . 6.0 109.248 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.2 61.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.976 1.472 . . . . 6.0 114.976 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.22 -20.55 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.27 1.211 . . . . 6.0 114.27 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.07 -65.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.177 1.353 . . . . 6.0 112.576 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.82 79.07 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.264 0.838 . . . . 6.0 113.264 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.443 ' HA ' HD22 ' B' ' 798' ' ' LEU . 20.7 p -65.6 -51.89 56.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.051 0.387 . . . . 6.0 110.643 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.0 m -52.67 -47.53 67.09 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.689 1.196 . . . . 6.0 112.361 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -55.3 -28.37 53.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.978 1.311 . . . . 6.0 113.321 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -90.17 -44.74 9.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.58 1.152 . . . . 6.0 112.044 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.47 -43.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.414 1.486 . . . . 6.0 114.095 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' B' ' 829' ' ' VAL . 33.0 mt -61.53 -48.07 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.406 1.482 . . . . 6.0 109.969 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.1 m -56.75 -24.31 49.05 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.317 1.599 . . . . 6.0 115.317 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -67.47 -56.43 9.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.28 1.4 . . . . 6.0 109.71 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -58.25 -37.39 74.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.711 1.204 . . . . 6.0 112.774 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -61.01 -15.66 34.46 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.619 1.34 . . . . 6.0 114.619 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -128.78 -27.75 2.53 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.026 1.862 . . . . 6.0 116.026 -174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.3 t -66.1 142.38 57.79 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.835 1.198 . . . . 6.0 113.216 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.7 p -130.42 -7.13 4.21 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.335 1.854 . . . . 6.0 113.203 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -63.23 104.76 0.63 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 128.119 2.568 . . . . 6.0 111.091 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -63.92 -1.56 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.86 1.8 . . . . 6.0 115.86 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -132.87 20.14 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.624 1.57 . . . . 6.0 112.246 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.8 t -55.9 128.17 69.98 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.757 1.623 . . . . 6.0 111.428 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.93 -27.76 36.71 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.932 2.421 . . . . 6.0 114.929 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.33 -47.46 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 116.862 -1.542 . . . . 6.0 111.082 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.516 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 21.9 m -69.67 -24.05 63.55 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.596 1.998 . . . . 6.0 114.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.5 tp -40.4 -55.76 4.01 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-N 121.909 2.141 . . . . 6.0 114.728 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.84 -41.37 76.19 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 121.996 1.797 . . . . 6.0 113.057 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.96 -39.73 87.31 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.264 1.393 . . . . 6.0 112.059 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.516 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 39.2 mttt -63.81 -40.57 96.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.701 1.2 . . . . 6.0 109.04 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -66.59 -44.99 80.7 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.203 1.001 . . . . 6.0 111.119 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.31 -19.41 3.27 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.456 2.302 . . . . 6.0 114.296 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' B' ' 818' ' ' ASN 0.282 0.3 OUTLIER -127.38 14.69 7.16 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 178.833 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -123.45 -16.2 6.89 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.241 1.416 . . . . 6.0 112.405 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -53.21 -34.95 59.21 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.612 1.565 . . . . 6.0 113.749 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 C-N-CA 126.398 1.879 . . . . 6.0 112.744 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 N-CA-C 114.874 0.709 . . . . 6.0 114.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 82.2 p -154.22 178.85 9.54 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.729 1.612 . . . . 6.0 112.3 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -127.63 25.01 6.09 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.738 1.615 . . . . 6.0 111.579 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -129.2 76.54 1.73 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.139 1.776 . . . . 6.0 110.537 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.3 144.22 52.37 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.345 1.058 . . . . 6.0 112.729 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.97 146.12 46.52 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.648 2.232 . . . . 6.0 113.127 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -152.23 98.88 2.89 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.319 1.848 . . . . 6.0 108.055 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.33 157.79 20.76 Favored 'Trans proline' 0 CA--C 1.548 1.211 0 C-N-CA 123.491 2.794 . . . . 6.0 112.835 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -70.22 101.96 2.0 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.938 1.295 . . . . 6.0 114.005 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -34.92 127.16 0.52 Allowed Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 129.343 3.057 . . . . 6.0 112.9 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.2 129.43 33.4 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.065 2.51 . . . . 6.0 114.267 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -47.94 -42.83 28.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.304 1.841 . . . . 6.0 114.903 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.79 -27.71 66.98 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.799 0.839 . . . . 6.0 113.037 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.04 -26.16 20.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.424 1.09 . . . . 6.0 112.804 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.94 -36.34 65.18 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.905 1.229 . . . . 6.0 111.905 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.79 -11.46 60.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.467 1.507 . . . . 6.0 114.724 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.6 mt -70.42 135.66 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.806 1.184 . . . . 6.0 110.898 177.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -73.3 108.41 6.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.643 -0.503 . . . . 6.0 109.643 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.6 p -90.71 -9.14 47.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.954 1.301 . . . . 6.0 114.406 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.67 -45.62 99.63 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.399 1.454 . . . . 6.0 112.995 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -61.95 -34.17 81.85 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.545 2.164 . . . . 6.0 112.214 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.7 -16.81 63.43 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.398 1.079 . . . . 6.0 113.664 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.84 -22.92 16.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.308 1.225 . . . . 6.0 114.308 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.46 -28.46 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.329 0.968 . . . . 6.0 111.71 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.75 -11.93 49.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.106 1.763 . . . . 6.0 114.221 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -48.11 -27.32 2.27 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.797 2.147 . . . . 6.0 116.797 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.03 31.18 3.28 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.606 1.562 . . . . 6.0 112.425 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.2 m -128.86 17.3 6.25 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.887 1.81 . . . . 6.0 115.887 -173.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.77 149.91 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.074 0.852 . . . . 6.0 112.536 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -119.14 86.51 2.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.956 2.102 . . . . 6.0 106.878 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.3 mt -38.62 -47.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.568 1.947 . . . . 6.0 113.038 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 4.2 mp0 -88.03 -20.08 26.28 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 116.506 2.039 . . . . 6.0 116.506 -174.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -86.15 -25.77 25.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -42.36 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.589 1.956 . . . . 6.0 113.495 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 51.3 mmm -63.46 153.3 83.13 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 128.071 2.549 . . . . 6.0 116.946 -169.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -59.09 -21.4 58.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.718 3.612 . . . . 6.0 117.195 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.298 63.7 t30 52.26 64.62 1.78 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.919 1.688 . . . . 6.0 114.557 -176.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -138.99 -63.42 0.04 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.305 1.431 . . . . 6.0 112.984 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.74 137.14 9.92 Favored Pre-proline 0 N--CA 1.474 0.734 0 C-N-CA 125.74 1.616 . . . . 6.0 110.441 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -90.38 -33.99 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.819 2.346 . . . . 6.0 113.706 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.09 -19.53 63.07 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.958 1.303 . . . . 6.0 112.224 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -64.21 -13.71 50.68 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 130.116 3.366 . . . . 6.0 111.694 174.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -53.47 139.89 29.63 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.422 -1.423 . . . . 6.0 110.887 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . 108.01 -34.58 5.53 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.714 1.149 . . . . 6.0 110.658 -173.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -104.46 -12.1 16.7 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.151 1.78 . . . . 6.0 113.342 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -126.54 25.77 6.43 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.267 1.427 . . . . 6.0 111.865 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 2.0 p -124.46 172.29 9.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.821 2.048 . . . . 6.0 111.771 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 415' ' ' ILE . 26.0 m -61.76 -5.34 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 117.839 2.533 . . . . 6.0 117.839 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -17.64 -47.23 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 120.348 3.462 . . . . 6.0 120.348 -175.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.1 22.17 4.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.745 1.218 . . . . 6.0 112.781 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.0 11.97 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.841 1.656 . . . . 6.0 114.682 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.62 -9.07 0.64 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.831 1.652 . . . . 6.0 115.38 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 20.4 m -66.14 156.33 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.339 1.056 . . . . 6.0 112.239 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 63.6 p -62.08 -4.47 1.69 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.178 1.918 . . . . 6.0 116.178 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -133.43 70.86 76.6 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 126.82 2.048 . . . . 6.0 110.507 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.12 -16.5 28.57 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.42 3.413 . . . . 6.0 113.917 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.473 0.703 0 C-N-CA 125.855 1.662 . . . . 6.0 112.532 179.71 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 113.966 1.098 . . . . 6.0 113.966 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 59.0 p -131.72 20.0 4.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.142 1.777 . . . . 6.0 113.338 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -140.04 177.0 20.93 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.396 1.474 . . . . 6.0 113.766 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.24 -24.67 79.37 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.862 3.042 . . . . 6.0 114.207 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.6 p -65.75 -14.08 60.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 6.0 113.622 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.33 21.24 2.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.306 1.843 . . . . 6.0 112.146 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -47.87 110.74 1.47 Allowed Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.428 1.091 . . . . 6.0 112.849 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -54.16 -42.04 70.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.398 2.732 . . . . 6.0 114.599 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -43.3 67.22 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.684 -0.635 . . . . 6.0 111.997 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -62.41 -46.13 90.0 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.844 0.747 . . . . 6.0 109.588 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 34.2 ttp85 -50.08 -47.12 53.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.445 1.498 . . . . 6.0 110.611 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -66.02 -33.65 76.29 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.659 1.184 . . . . 6.0 113.754 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.23 -50.95 62.05 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.541 1.519 . . . . 6.0 112.776 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.49 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.955 1.252 . . . . 6.0 110.923 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.87 -47.27 80.84 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.601 1.092 . . . . 6.0 111.638 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.05 -43.69 74.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 117.949 -1.024 . . . . 6.0 113.587 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.36 -45.16 94.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.39 1.45 . . . . 6.0 110.463 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 53.7 tp -53.63 -51.49 62.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.415 1.086 . . . . 6.0 111.481 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.488 HG21 HG23 ' B' ' 812' ' ' ILE . 28.0 t -65.35 -40.53 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 112.72 0.637 . . . . 6.0 112.72 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -59.03 -41.01 86.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.546 0.612 . . . . 6.0 111.657 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.79 -47.67 79.97 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.867 0.758 . . . . 6.0 110.843 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.52 -39.39 76.45 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.578 0.751 . . . . 6.0 111.908 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -64.46 -58.32 6.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.452 0.569 . . . . 6.0 110.12 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.43 65.06 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.694 1.368 . . . . 6.0 114.694 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -54.51 -43.33 71.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.476 1.11 . . . . 6.0 111.94 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -88.9 -34.27 17.01 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.233 1.413 . . . . 6.0 111.584 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.0 t -61.59 -37.22 83.1 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.001 0.819 . . . . 6.0 112.155 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -58.48 -36.52 73.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.556 -1.34 . . . . 6.0 111.06 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 41.4 mmt-85 -63.66 -28.18 69.73 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.984 1.313 . . . . 6.0 111.689 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -70.76 -52.27 21.8 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.118 0.967 . . . . 6.0 109.747 174.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.11 -47.49 85.06 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.191 1.397 . . . . 6.0 113.505 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -59.51 -26.87 65.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.707 1.003 . . . . 6.0 113.707 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -89.97 -37.04 14.63 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.444 1.098 . . . . 6.0 112.32 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -70.88 -41.56 71.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.947 1.299 . . . . 6.0 114.156 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 168.93 18.13 0.02 OUTLIER Glycine 0 CA--C 1.537 1.429 0 N-CA-C 117.101 1.601 . . . . 6.0 117.101 -178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.47 39.53 31.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.812 1.645 . . . . 6.0 113.888 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.0 p -141.16 151.98 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.647 1.179 . . . . 6.0 112.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -57.05 115.31 2.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.38 1.072 . . . . 6.0 110.562 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -137.32 43.96 2.3 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.243 1.417 . . . . 6.0 112.617 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 6.0 t -133.62 -174.42 3.51 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.278 1.431 . . . . 6.0 113.016 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 m -134.2 -6.99 2.65 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.824 2.049 . . . . 6.0 114.808 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.741 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.1 OUTLIER -63.21 125.2 86.49 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-N 120.417 1.462 . . . . 6.0 108.18 176.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.741 ' HD2' HD13 ' A' ' 381' ' ' LEU . 13.7 Cg_exo -39.63 -30.55 0.34 Allowed 'Trans proline' 0 CA--C 1.54 0.8 1 C-N-CA 125.831 4.354 . . . . 6.0 119.299 -177.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.16 22.07 4.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.794 1.237 . . . . 6.0 113.189 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.16 -50.34 67.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.892 0.877 . . . . 6.0 110.929 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -36.38 76.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.287 1.035 . . . . 6.0 112.781 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 89.4 m -64.02 -49.38 72.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.404 1.082 . . . . 6.0 109.714 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.6 mmt -64.57 -46.03 84.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.217 0.607 . . . . 6.0 111.399 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.289 1.036 . . . . 6.0 111.517 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -63.74 -45.48 89.67 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.745 0.818 . . . . 6.0 111.337 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.8 -39.1 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.346 1.059 . . . . 6.0 111.61 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.7 -45.65 67.77 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.673 1.589 . . . . 6.0 112.128 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -64.5 -37.18 86.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.193 0.197 . . . . 6.0 110.676 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.81 -49.69 76.47 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.621 -0.674 . . . . 6.0 109.213 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 68.0 mtp -51.72 -39.61 58.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.356 1.463 . . . . 6.0 111.952 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -4.44 6.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.99 -18.33 3.38 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.381 1.473 . . . . 6.0 112.71 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 54.1 t -63.43 145.56 55.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.405 1.482 . . . . 6.0 111.674 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -136.87 5.09 2.82 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.71 2.004 . . . . 6.0 112.521 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -84.57 -6.02 59.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 115.258 1.577 . . . . 6.0 115.258 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.25 -136.21 43.2 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.305 0.955 . . . . 6.0 114.145 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.58 -5.73 6.15 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.566 1.691 . . . . 6.0 115.566 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -111.19 8.7 21.71 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.368 1.467 . . . . 6.0 114.381 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.61 146.39 30.63 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.439 1.096 . . . . 6.0 113.652 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -77.27 -20.57 54.93 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.131 1.372 . . . . 6.0 113.195 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.2 t -79.16 112.47 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.293 0.951 . . . . 6.0 108.837 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.86 29.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.062 1.875 . . . . 6.0 116.062 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -90.08 -25.01 20.98 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.316 1.228 . . . . 6.0 114.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 40.1 t -59.58 -65.35 0.69 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.482 1.513 . . . . 6.0 113.378 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.17 69.46 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.627 -0.671 . . . . 6.0 112.465 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.45 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.1 m -67.65 -47.63 68.98 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.992 -0.443 . . . . 6.0 111.37 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -57.5 -45.7 84.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.256 1.423 . . . . 6.0 111.541 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -50.65 -43.57 57.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.123 0.969 . . . . 6.0 112.393 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -79.11 -43.61 23.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.767 0.827 . . . . 6.0 111.976 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -56.12 -44.44 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.153 0.981 . . . . 6.0 112.407 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 415' ' ' ILE . 74.8 mt -54.2 -58.28 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.552 1.141 . . . . 6.0 110.103 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -54.18 -27.2 32.41 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.77 -63.36 1.08 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.091 0.86 . . . . 6.0 110.688 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -56.01 -41.01 74.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.236 1.014 . . . . 6.0 112.938 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . 0.413 ' HA ' ' HB1' ' B' ' 824' ' ' ALA . 8.2 mmtt -65.15 -9.88 26.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.504 1.522 . . . . 6.0 114.303 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -130.54 -27.35 2.17 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.848 1.796 . . . . 6.0 115.848 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.87 113.05 2.83 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.06 1.3 . . . . 6.0 112.902 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.9 p -90.75 -9.81 45.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.958 1.303 . . . . 6.0 113.632 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.406 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 65.9 mtm180 -62.74 116.24 5.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 6.0 112.996 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.2 -4.26 20.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.548 0.739 . . . . 6.0 112.805 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.2 14.73 7.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.671 1.588 . . . . 6.0 114.163 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . 0.406 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 17.0 t -56.7 130.56 77.75 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.325 1.05 . . . . 6.0 111.961 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -57.5 -19.4 36.28 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.456 2.771 . . . . 6.0 115.343 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.26 -39.22 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.791 1.178 . . . . 6.0 111.372 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 78.6 m -74.71 -28.01 60.62 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.596 1.544 . . . . 6.0 113.985 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.3 tp -41.14 -54.95 5.38 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 121.225 1.83 . . . . 6.0 115.144 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -59.84 -32.62 95.66 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 CA-C-N 121.735 1.656 . . . . 6.0 113.042 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -38.78 61.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.284 1.402 . . . . 6.0 111.589 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -63.29 -31.41 72.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.91 1.284 . . . . 6.0 109.696 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -71.43 -55.75 7.3 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.453 -0.943 . . . . 6.0 108.453 169.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.64 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -48.05 -42.54 28.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.286 1.834 . . . . 6.0 115.045 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.5 OUTLIER -84.41 10.23 11.25 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.383 1.253 . . . . 6.0 114.383 -177.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -143.87 -53.83 0.35 Allowed 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.649 -1.282 . . . . 6.0 113.612 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -148.05 97.87 2.85 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 127.255 2.222 . . . . 6.0 109.524 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 125.057 1.343 . . . . 6.0 112.818 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.487 0 N-CA-C 114.647 0.619 . . . . 6.0 114.647 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 27.7 m -71.5 -6.6 41.75 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.633 1.573 . . . . 6.0 114.761 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -61.28 154.64 23.17 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.189 1.396 . . . . 6.0 113.5 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.76 173.13 11.79 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.056 1.742 . . . . 6.0 111.274 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.27 151.27 74.7 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 125.607 1.563 . . . . 6.0 111.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.92 81.08 2.48 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.763 2.975 . . . . 6.0 112.871 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.01 83.65 62.93 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.825 1.65 . . . . 6.0 111.912 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.78 156.75 41.39 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.026 2.484 . . . . 6.0 111.015 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.53 100.27 2.21 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.04 1.126 . . . . 6.0 114.04 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -33.49 126.72 0.43 Allowed Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 129.862 3.265 . . . . 6.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -56.16 129.88 37.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.825 2.35 . . . . 6.0 114.169 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -50.12 -41.75 49.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.764 1.626 . . . . 6.0 115.25 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -66.87 -24.58 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.27 -0.893 . . . . 6.0 113.003 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.13 -25.15 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.418 1.087 . . . . 6.0 112.603 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.05 -37.53 71.93 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 120.176 1.353 . . . . 6.0 111.519 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.85 -14.9 62.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.609 1.564 . . . . 6.0 114.254 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.0 mt -70.06 137.27 51.1 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.606 1.094 . . . . 6.0 111.22 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -73.26 103.75 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.57 0.748 . . . . 6.0 109.753 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.4 p -86.06 -9.71 56.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.671 1.188 . . . . 6.0 113.698 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.12 -49.32 94.65 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 120.217 1.372 . . . . 6.0 114.107 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.23 -23.68 28.37 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-N 121.57 1.596 . . . . 6.0 111.052 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 33.5 mtt -66.98 -16.93 64.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.455 1.102 . . . . 6.0 113.283 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.07 -18.51 5.48 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.064 1.505 . . . . 6.0 115.064 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 17.8 pt -67.91 -32.7 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 119.077 0.853 . . . . 6.0 111.391 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.51 -15.53 56.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.118 1.767 . . . . 6.0 114.394 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -27.86 0.21 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 117.875 2.546 . . . . 6.0 117.875 -172.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 35.25 1.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.294 1.438 . . . . 6.0 112.053 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.0 m -128.37 19.01 6.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.457 1.651 . . . . 6.0 115.457 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.63 155.16 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 6.0 111.852 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -122.95 86.16 2.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.569 1.947 . . . . 6.0 107.827 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.488 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.84 -42.41 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.72 1.608 . . . . 6.0 112.93 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.64 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 66.7 mt-10 -85.16 -19.98 30.95 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.557 1.688 . . . . 6.0 115.557 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.3 -19.69 21.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.518 1.508 . . . . 6.0 114.884 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -42.87 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.16 0.984 . . . . 6.0 111.866 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . 0.447 ' HB2' ' HB1' ' A' ' 435' ' ' ALA . 3.8 tpp -72.01 135.9 82.52 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.372 1.069 . . . . 6.0 113.812 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.0 20.2 0.65 Allowed 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 124.482 3.454 . . . . 6.0 114.217 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.363 0.8 OUTLIER 45.28 47.04 10.36 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.209 2.204 . . . . 6.0 116.584 -178.872 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -77.6 -83.07 0.56 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.156 0.884 . . . . 6.0 111.653 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -160.02 143.31 10.28 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.417 1.487 . . . . 6.0 111.301 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -79.81 -43.7 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.076 2.517 . . . . 6.0 113.824 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.83 -20.93 66.18 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.335 1.054 . . . . 6.0 112.724 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -15.42 62.57 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 128.299 2.64 . . . . 6.0 111.149 174.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 419' ' ' LYS . . . -53.4 -27.83 26.38 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.274 -1.516 . . . . 6.0 114.688 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -83.32 -28.96 34.76 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 120.694 1.588 . . . . 6.0 113.601 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.29 -30.76 69.84 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 107.639 -1.245 . . . . 6.0 107.639 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.41 -1.35 49.79 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 126.888 2.075 . . . . 6.0 112.229 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . 0.435 HG23 ' N ' ' B' ' 830' ' ' ASP . 0.9 OUTLIER 42.28 174.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 1 C-N-CA 133.631 4.772 . . . . 6.0 119.493 178.939 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.88 24.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 126.622 1.969 . . . . 6.0 114.222 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . 0.435 ' N ' HG23 ' B' ' 828' ' ' THR . 70.0 m-20 47.41 33.99 3.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.782 2.833 . . . . 6.0 113.516 -173.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -43.37 -33.57 1.06 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.928 2.891 . . . . 6.0 115.994 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.8 -2.68 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 126.638 1.975 . . . . 6.0 113.057 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -124.76 -34.29 2.85 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.872 2.069 . . . . 6.0 115.606 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 20.8 m -66.02 -12.01 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.269 1.428 . . . . 6.0 114.242 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 10.7 t -150.41 172.7 15.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.223 1.809 . . . . 6.0 111.749 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -58.19 118.18 25.38 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.142 1.777 . . . . 6.0 110.797 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.95 151.17 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.943 3.096 . . . . 6.0 114.25 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 124.875 1.27 . . . . 6.0 112.365 179.036 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.886 1.069 . . . . 6.0 113.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.1 m -58.62 -30.7 67.45 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.238 1.815 . . . . 6.0 113.705 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 174.74 -174.4 46.62 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 126.029 1.776 . . . . 6.0 111.432 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -63.66 -16.26 53.65 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.294 2.663 . . . . 6.0 113.687 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 29.5 p -80.78 -6.13 58.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.102 1.761 . . . . 6.0 114.146 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -130.6 143.16 50.57 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.978 1.263 . . . . 6.0 112.011 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -152.03 101.34 2.84 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.642 1.177 . . . . 6.0 110.432 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.93 -29.58 27.59 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 124.718 3.612 . . . . 6.0 117.294 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.92 -47.78 8.3 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.514 1.052 . . . . 6.0 112.017 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -38.27 89.44 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.974 -0.454 . . . . 6.0 110.582 176.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.45 -44.99 81.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.425 1.49 . . . . 6.0 112.088 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -63.0 -39.54 95.09 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.012 0.823 . . . . 6.0 111.803 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.28 -49.06 78.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.004 1.112 . . . . 6.0 114.004 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -40.82 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 120.033 1.288 . . . . 6.0 110.94 175.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -57.43 -44.89 85.07 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.674 1.125 . . . . 6.0 112.682 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -65.95 -49.15 68.93 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.655 1.182 . . . . 6.0 111.769 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.49 -44.94 95.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.171 1.35 . . . . 6.0 110.512 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.11 -54.38 36.49 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.096 0.959 . . . . 6.0 111.613 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.443 HG21 HG23 ' B' ' 812' ' ' ILE . 25.1 t -64.21 -38.95 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.863 0.69 . . . . 6.0 112.863 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.05 -38.85 80.34 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.878 0.763 . . . . 6.0 111.328 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.5 -46.78 75.09 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.768 0.713 . . . . 6.0 111.28 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.27 -35.6 69.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.101 0.96 . . . . 6.0 111.347 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -71.17 -60.18 2.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.183 0.593 . . . . 6.0 110.313 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.66 -34.51 58.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.18 -58.75 7.28 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.32 1.418 . . . . 6.0 111.308 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -66.09 -32.79 74.46 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.678 -0.639 . . . . 6.0 111.724 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . 0.543 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 37.4 t -63.62 -39.97 95.71 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.568 0.747 . . . . 6.0 111.749 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.7 -34.81 76.43 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.695 -1.253 . . . . 6.0 110.031 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -66.82 -43.14 84.55 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.558 0.743 . . . . 6.0 110.633 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 74.9 mtm180 -57.68 -43.74 85.3 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.066 0.947 . . . . 6.0 111.046 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.53 -51.25 66.25 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.146 0.978 . . . . 6.0 111.13 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.89 -29.89 69.84 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.901 0.88 . . . . 6.0 113.291 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -69.4 -9.81 55.17 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.429 1.27 . . . . 6.0 114.429 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -134.12 -49.36 0.8 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.347 1.059 . . . . 6.0 113.43 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 93.67 -15.1 63.83 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.245 1.402 . . . . 6.0 116.407 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.89 -0.66 4.21 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.0 1.9 . . . . 6.0 115.901 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.34 153.22 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.372 1.869 . . . . 6.0 110.588 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . 0.577 HH22 ' CB ' ' A' ' 384' ' ' CYS . 0.0 OUTLIER -134.49 -0.03 2.98 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.477 2.029 . . . . 6.0 116.477 -178.477 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . 56.72 43.5 25.17 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 118.949 2.944 . . . . 6.0 118.949 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . 0.483 ' HB3' HH22 ' A' ' 369' ' ' ARG . 12.4 p -161.0 175.44 12.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.888 1.275 . . . . 6.0 112.813 171.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 31.6 m -140.92 27.47 1.99 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.781 1.632 . . . . 6.0 113.731 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.636 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -53.86 125.84 48.63 Favored Pre-proline 0 CA--C 1.56 1.353 0 O-C-N 121.051 -1.031 . . . . 6.0 111.2 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.636 ' HD2' HD13 ' A' ' 381' ' ' LEU . 58.6 Cg_exo -45.94 -30.59 7.24 Favored 'Trans proline' 0 CA--C 1.541 0.854 1 C-N-CA 125.49 4.127 . . . . 6.0 118.608 -178.153 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.45 23.5 5.13 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.98 1.312 . . . . 6.0 112.801 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . 0.577 ' CB ' HH22 ' A' ' 377' ' ' ARG . 1.8 t -53.47 -46.32 69.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.126 1.37 . . . . 6.0 110.989 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -34.41 77.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.044 1.337 . . . . 6.0 113.289 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.9 m -62.27 -48.1 81.4 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.821 1.248 . . . . 6.0 108.903 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -65.09 -46.45 81.06 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.709 0.803 . . . . 6.0 111.916 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 56.7 mttp -53.52 -41.53 66.45 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 119.933 1.242 . . . . 6.0 112.384 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -66.0 -46.89 76.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.775 0.83 . . . . 6.0 111.71 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.39 -39.75 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.383 1.073 . . . . 6.0 111.514 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.3 mt -66.77 -49.97 64.21 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.089 1.756 . . . . 6.0 111.952 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -59.53 -42.08 91.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.78 -0.575 . . . . 6.0 110.846 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -59.23 -53.06 62.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.571 0.748 . . . . 6.0 110.432 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -35.72 47.92 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.949 1.7 . . . . 6.0 113.995 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 9.2 m -68.29 -10.56 55.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.135 0.974 . . . . 6.0 113.082 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -126.58 -19.87 4.48 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.355 1.462 . . . . 6.0 113.597 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.26 147.84 49.89 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.31 1.444 . . . . 6.0 112.291 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -137.87 7.1 2.7 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.878 1.671 . . . . 6.0 112.986 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.3 -5.93 55.57 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.326 1.232 . . . . 6.0 114.326 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.56 -136.34 47.15 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.573 1.083 . . . . 6.0 113.964 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.28 -7.75 10.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.174 1.546 . . . . 6.0 115.174 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -107.84 6.18 27.19 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.492 1.517 . . . . 6.0 114.28 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.64 141.47 48.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.876 0.846 . . . . 6.0 112.33 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -78.37 -15.68 58.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.762 1.225 . . . . 6.0 113.23 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.16 110.17 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.825 -1.176 . . . . 6.0 107.825 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.99 17.42 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.745 1.758 . . . . 6.0 115.745 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.02 -14.77 33.23 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.659 1.355 . . . . 6.0 114.659 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.86 -65.36 0.73 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.208 1.367 . . . . 6.0 111.442 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.94 -33.47 62.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.977 0.732 . . . . 6.0 112.977 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.2 p -70.51 -53.76 14.9 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 119.108 -0.472 . . . . 6.0 110.995 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 70.4 m -51.96 -46.95 64.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.169 0.988 . . . . 6.0 112.816 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -52.78 -34.57 53.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.637 1.975 . . . . 6.0 113.22 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -90.0 -42.43 11.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.963 1.305 . . . . 6.0 112.626 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.82 -45.41 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.898 1.279 . . . . 6.0 112.808 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.53 -51.3 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.426 1.49 . . . . 6.0 111.126 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.3 m -56.57 -31.0 63.8 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.856 1.428 . . . . 6.0 114.856 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -63.21 -57.5 10.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.162 0.892 . . . . 6.0 110.705 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -56.74 -32.62 65.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.352 1.461 . . . . 6.0 112.986 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -71.71 -9.95 59.04 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.861 1.43 . . . . 6.0 114.861 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -127.78 -29.57 2.59 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.19 1.552 . . . . 6.0 115.19 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.7 t -68.64 140.29 55.49 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.465 1.029 . . . . 6.0 112.779 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 59.8 p -132.0 -7.19 3.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.887 1.675 . . . . 6.0 113.419 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.65 116.78 6.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.612 1.565 . . . . 6.0 110.087 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.28 -22.59 66.3 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.801 0.667 . . . . 6.0 112.801 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -102.91 13.91 33.21 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.88 1.067 . . . . 6.0 113.88 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.74 126.2 79.49 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 105.33 -2.1 . . . . 6.0 105.33 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.73 -39.16 35.83 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.775 1.65 . . . . 6.0 111.281 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.78 -52.13 18.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.591 1.156 . . . . 6.0 110.938 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.49 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.8 m -69.77 -31.47 69.43 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.744 1.757 . . . . 6.0 115.744 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 59.4 tp -41.25 -53.3 6.85 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 120.8 1.636 . . . . 6.0 115.32 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.05 -38.26 88.39 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 CA-C-N 122.32 1.864 . . . . 6.0 113.124 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.35 -42.06 72.34 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.38 1.445 . . . . 6.0 111.519 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.49 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 36.3 mttt -61.63 -36.4 80.67 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.781 1.232 . . . . 6.0 109.427 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -69.56 -48.17 61.2 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.85 0.86 . . . . 6.0 110.442 172.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.32 -19.12 4.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.941 2.096 . . . . 6.0 114.197 177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 73.2 p -124.19 7.97 8.52 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.504 1.522 . . . . 6.0 114.915 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -152.41 -24.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.896 1.813 . . . . 6.0 115.896 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -120.29 -31.05 4.47 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.331 1.604 . . . . 6.0 115.331 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 . . . . . 0 N--CA 1.48 1.072 0 C-N-CA 125.776 1.63 . . . . 6.0 112.628 -178.144 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.474 0 N-CA-C 114.777 0.671 . . . . 6.0 114.777 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 80.5 p -70.05 -14.32 62.63 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.477 1.511 . . . . 6.0 114.536 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -151.97 166.14 32.46 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.454 1.902 . . . . 6.0 111.468 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.31 145.43 55.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.848 0.859 . . . . 6.0 111.899 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.0 m -142.08 152.28 61.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.581 1.553 . . . . 6.0 111.622 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.33 174.86 10.84 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 123.365 2.71 . . . . 6.0 112.644 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -45.76 109.24 0.92 Allowed Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 126.726 2.011 . . . . 6.0 114.873 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 160.28 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.768 2.312 . . . . 6.0 113.227 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.68 113.48 3.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.902 1.681 . . . . 6.0 113.692 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.28 126.61 78.87 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 125.858 1.663 . . . . 6.0 110.567 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -56.27 128.01 28.37 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.451 2.101 . . . . 6.0 113.445 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -48.41 -45.22 35.77 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.587 1.555 . . . . 6.0 114.354 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.06 -24.02 67.34 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.672 0.989 . . . . 6.0 113.672 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.2 -24.16 21.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.262 1.025 . . . . 6.0 113.103 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -56.06 -39.59 72.26 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 120.254 1.388 . . . . 6.0 111.702 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.26 -16.01 64.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.415 1.486 . . . . 6.0 114.497 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 34.5 mt -68.74 128.14 35.6 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.559 1.072 . . . . 6.0 110.857 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -69.98 104.6 2.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.613 0.765 . . . . 6.0 110.118 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.56 -10.3 57.53 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.348 1.24 . . . . 6.0 114.348 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.61 -49.92 88.49 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.495 1.498 . . . . 6.0 114.354 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.4 -22.57 28.99 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 CA-C-N 121.418 1.542 . . . . 6.0 111.818 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 30.9 mtt -67.43 -16.67 64.36 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.382 1.073 . . . . 6.0 113.108 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.79 -22.17 8.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.809 1.411 . . . . 6.0 114.809 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 29.8 pt -62.56 -30.93 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 119.389 0.995 . . . . 6.0 111.672 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -84.78 -10.18 57.46 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.413 1.885 . . . . 6.0 114.334 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -48.63 -22.23 0.73 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 117.31 2.337 . . . . 6.0 117.31 -173.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.07 33.87 1.36 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.151 1.38 . . . . 6.0 112.377 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.1 m -131.66 22.39 4.66 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.341 1.978 . . . . 6.0 116.341 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -142.08 151.36 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.214 0.915 . . . . 6.0 113.029 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -116.85 82.89 1.88 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.043 2.137 . . . . 6.0 108.856 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -49.05 -36.03 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.963 1.305 . . . . 6.0 112.459 -174.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.8 mt-10 -93.42 -19.78 20.96 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.476 2.028 . . . . 6.0 116.476 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -99.1 -17.98 17.94 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.224 1.374 . . . . 6.0 114.392 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.509 1.123 . . . . 6.0 111.479 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.3 140.74 97.75 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.024 1.73 . . . . 6.0 114.33 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 13.37 0.91 Allowed 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 124.224 3.283 . . . . 6.0 114.858 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.28 0.8 OUTLIER 48.5 31.39 2.84 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.733 2.413 . . . . 6.0 117.185 178.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -84.67 -80.59 1.08 Allowed Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.033 0.825 . . . . 6.0 113.393 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.04 151.17 19.78 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 126.347 1.859 . . . . 6.0 110.185 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -72.76 -49.79 0.24 Allowed 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.048 1.832 . . . . 6.0 113.789 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.18 -28.64 69.28 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.811 1.244 . . . . 6.0 112.814 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -31.43 67.3 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.683 2.393 . . . . 6.0 111.057 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.41 -17.29 29.31 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.762 1.393 . . . . 6.0 114.762 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -54.78 -30.91 53.48 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.111 0.862 . . . . 6.0 113.058 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -126.47 -15.44 5.6 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.319 1.448 . . . . 6.0 113.831 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.7 -19.07 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.478 1.288 . . . . 6.0 114.478 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 8.3 t -160.35 166.47 29.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.623 1.169 . . . . 6.0 112.42 -174.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 13.9 m 30.63 67.34 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 C-N-CA 128.636 2.774 . . . . 6.0 116.008 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.76 169.2 2.6 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.852 1.797 . . . . 6.0 115.852 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.82 -44.79 63.66 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.423 -1.423 . . . . 6.0 113.12 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.89 -29.38 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.898 0.879 . . . . 6.0 111.815 175.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.6 -38.37 86.86 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.204 1.801 . . . . 6.0 112.932 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 16.3 m -101.26 -7.35 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.56 1.144 . . . . 6.0 112.709 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 19.5 t 65.29 -41.67 0.32 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.185 2.994 . . . . 6.0 115.308 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 33.96 66.11 1.37 Allowed Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 128.624 2.77 . . . . 6.0 115.337 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.68 -15.06 30.37 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 124.022 3.148 . . . . 6.0 113.263 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 75.8 p . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 125.473 1.509 . . . . 6.0 112.467 177.621 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 113.554 0.946 . . . . 6.0 113.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 14.8 t -148.05 -29.81 0.31 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.19 1.396 . . . . 6.0 113.558 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -172.32 52.82 0.17 Allowed Glycine 0 CA--C 1.537 1.454 0 CA-C-O 118.509 -1.162 . . . . 6.0 115.045 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.12 -23.54 75.65 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.089 2.526 . . . . 6.0 113.305 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 25.6 p -76.92 -4.81 45.77 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.85 1.66 . . . . 6.0 113.23 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -128.39 -35.31 1.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.92 1.288 . . . . 6.0 114.304 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.8 t70 14.99 91.79 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 130.047 3.339 . . . . 6.0 115.646 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.47 -41.04 23.41 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.96 3.773 . . . . 6.0 115.977 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.65 -47.92 36.3 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.351 -0.843 . . . . 6.0 112.0 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -40.99 95.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.711 -0.618 . . . . 6.0 109.886 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -54.78 -46.22 74.4 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.89 1.676 . . . . 6.0 110.755 173.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -63.87 -33.59 76.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.173 0.989 . . . . 6.0 112.362 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.04 -46.97 72.81 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.63 1.104 . . . . 6.0 113.563 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.39 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.5 1.5 . . . . 6.0 111.056 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.42 -48.32 71.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.371 0.987 . . . . 6.0 112.531 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -67.04 -42.53 84.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.176 -0.916 . . . . 6.0 112.748 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.909 1.232 . . . . 6.0 110.758 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.57 -57.01 12.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.877 0.871 . . . . 6.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.405 HG21 HG23 ' B' ' 812' ' ' ILE . 33.3 t -59.71 -40.72 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 381' ' ' LEU . 11.3 mt -59.98 -39.27 85.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.94 0.791 . . . . 6.0 111.736 176.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.45 -45.39 83.98 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.067 0.849 . . . . 6.0 110.688 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.18 -44.46 75.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.454 0.702 . . . . 6.0 111.342 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -64.39 -58.82 5.38 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.788 0.435 . . . . 6.0 110.471 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.19 -38.08 56.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.57 1.693 . . . . 6.0 115.57 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.4 -59.89 4.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.839 1.199 . . . . 6.0 111.12 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -68.58 -32.11 71.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.831 -0.604 . . . . 6.0 111.959 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.7 t -61.78 -40.12 94.06 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.859 0.754 . . . . 6.0 111.044 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -59.91 -41.39 91.61 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.854 -1.154 . . . . 6.0 109.474 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -60.68 -41.38 94.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.334 0.97 . . . . 6.0 111.711 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.64 -51.12 70.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.9 0.88 . . . . 6.0 110.777 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.84 -33.45 68.47 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.896 0.879 . . . . 6.0 113.274 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.64 -41.55 95.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.946 1.298 . . . . 6.0 110.044 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.01 -28.36 62.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.047 0.939 . . . . 6.0 112.525 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.9 -28.54 66.77 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.27 1.028 . . . . 6.0 113.38 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 83.68 -16.45 31.05 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.289 1.424 . . . . 6.0 115.143 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -142.4 147.99 37.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.754 2.022 . . . . 6.0 109.646 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.18 152.68 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.638 1.175 . . . . 6.0 112.05 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 -33.98 0.3 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.273 1.429 . . . . 6.0 114.729 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -163.84 177.43 8.61 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.451 1.5 . . . . 6.0 112.354 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 49.6 t -141.51 170.85 14.94 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.443 2.297 . . . . 6.0 110.015 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 63.3 m -70.9 -24.12 62.41 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.242 1.417 . . . . 6.0 113.188 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.652 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER -77.9 124.47 86.22 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.82 0.848 . . . . 6.0 111.291 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.652 ' HD2' HD13 ' A' ' 381' ' ' LEU . 39.7 Cg_exo -43.29 -30.34 2.24 Favored 'Trans proline' 0 CA--C 1.54 0.808 1 C-N-CA 126.039 4.493 . . . . 6.0 118.269 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -131.19 21.26 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.721 1.208 . . . . 6.0 113.711 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 -47.69 65.42 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.377 -0.827 . . . . 6.0 111.652 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -34.83 75.21 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.565 1.146 . . . . 6.0 113.057 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.3 m -64.7 -50.59 66.35 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.482 1.113 . . . . 6.0 108.907 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -45.21 87.08 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.082 0.953 . . . . 6.0 111.133 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -56.22 -42.11 76.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.189 0.996 . . . . 6.0 112.03 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -65.52 -44.12 87.9 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.36 0.664 . . . . 6.0 111.704 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.99 -42.08 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.112 0.965 . . . . 6.0 110.965 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.52 -49.03 70.47 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.871 1.668 . . . . 6.0 112.163 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.83 -42.55 89.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.826 -0.547 . . . . 6.0 110.757 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -59.49 -53.81 53.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.541 0.737 . . . . 6.0 110.434 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 60.7 mtp -52.58 -35.27 53.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.122 1.769 . . . . 6.0 113.976 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 20.3 m -65.82 -14.44 61.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.41 1.084 . . . . 6.0 113.272 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -122.04 -28.77 4.35 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.067 1.347 . . . . 6.0 112.7 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.0 t -60.41 137.47 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.78 1.632 . . . . 6.0 111.769 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -129.15 -3.61 5.03 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 6.0 113.152 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.17 60.77 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.89 0.876 . . . . 6.0 112.627 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 38.67 -104.33 0.03 OUTLIER Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.91 2.195 . . . . 6.0 114.56 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -56.33 -13.45 2.19 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.59 1.7 . . . . 6.0 115.59 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -122.4 13.28 10.23 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.71 2.004 . . . . 6.0 113.581 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 17.9 t -66.05 178.76 1.05 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.836 1.254 . . . . 6.0 112.752 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -119.29 -12.67 9.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.95 2.1 . . . . 6.0 113.449 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.5 t -84.59 117.36 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.932 -1.136 . . . . 6.0 107.932 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.62 68.55 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.495 1.665 . . . . 6.0 115.495 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -82.99 -27.32 30.51 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.252 1.205 . . . . 6.0 114.252 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.08 -64.86 0.69 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.734 1.614 . . . . 6.0 113.005 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.63 78.2 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.89 0.7 . . . . 6.0 112.89 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.469 ' HA ' HD22 ' B' ' 798' ' ' LEU . 71.9 m -66.58 -45.32 79.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 122.129 -0.357 . . . . 6.0 111.565 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.9 m -59.39 -45.35 91.72 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.754 1.221 . . . . 6.0 111.722 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -39.09 33.98 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.988 1.715 . . . . 6.0 112.212 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -85.88 -41.58 14.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.72 1.208 . . . . 6.0 112.239 176.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -41.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.372 0.987 . . . . 6.0 112.555 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.31 -47.73 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.726 1.611 . . . . 6.0 110.45 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.1 t -54.74 -30.88 57.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.467 1.284 . . . . 6.0 114.467 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -68.49 -59.66 2.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.382 0.992 . . . . 6.0 111.964 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.91 -30.69 69.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.861 0.865 . . . . 6.0 112.392 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.89 -13.27 61.52 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.343 1.457 . . . . 6.0 114.383 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -134.16 -26.12 1.51 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.255 1.946 . . . . 6.0 116.255 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.0 t -64.47 149.66 48.1 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.868 1.213 . . . . 6.0 113.74 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 71.2 p -136.46 -3.49 2.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.541 1.936 . . . . 6.0 113.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -63.66 113.57 3.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.045 1.338 . . . . 6.0 111.97 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -68.49 -5.0 17.01 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.17 0.804 . . . . 6.0 113.17 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -128.55 15.95 6.5 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.402 1.881 . . . . 6.0 113.501 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.11 129.36 79.07 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.523 1.129 . . . . 6.0 109.225 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.09 -44.94 42.09 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.658 2.239 . . . . 6.0 111.635 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.44 -52.87 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.801 1.24 . . . . 6.0 112.001 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.515 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 33.6 m -70.13 -27.22 64.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -42.79 -53.27 10.14 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 120.917 1.689 . . . . 6.0 114.835 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.86 -35.75 98.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 CA-C-N 122.022 1.758 . . . . 6.0 113.353 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.21 -41.53 61.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.708 1.595 . . . . 6.0 111.732 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.515 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 45.5 mttt -63.99 -28.16 69.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.087 1.355 . . . . 6.0 110.353 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.3 -46.37 16.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.883 1.273 . . . . 6.0 109.849 171.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.552 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -51.46 -42.27 61.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.834 1.654 . . . . 6.0 113.056 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 64.9 p -80.53 4.72 17.45 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -146.28 -37.37 0.24 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.772 1.767 . . . . 6.0 115.772 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -151.4 48.88 0.82 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.71 1.204 . . . . 6.0 113.108 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 . . . . . 0 N--CA 1.483 1.19 0 C-N-CA 125.077 1.351 . . . . 6.0 114.57 -179.853 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.49 0 N-CA-C 114.753 0.661 . . . . 6.0 114.753 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 76.8 p -58.91 -16.63 18.54 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.987 1.715 . . . . 6.0 115.164 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -69.46 -9.72 54.92 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.293 1.437 . . . . 6.0 113.383 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 11.5 tpt -137.79 167.16 22.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.23 1.812 . . . . 6.0 111.233 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 25.7 m -130.37 149.68 74.06 Favored Pre-proline 0 N--CA 1.479 0.982 0 C-N-CA 125.504 1.522 . . . . 6.0 111.944 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -77.06 175.21 11.66 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.493 2.795 . . . . 6.0 113.434 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -50.65 116.97 7.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.951 2.1 . . . . 6.0 111.845 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.41 154.88 33.03 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.206 2.604 . . . . 6.0 112.892 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.0 106.66 1.08 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.814 1.245 . . . . 6.0 112.766 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.23 127.17 29.04 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 127.36 2.264 . . . . 6.0 110.831 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -52.17 124.77 15.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.236 2.624 . . . . 6.0 113.54 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -51.04 -37.64 46.61 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.464 1.283 . . . . 6.0 114.464 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.08 -28.79 69.7 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.974 0.91 . . . . 6.0 112.408 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.09 -28.18 19.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.521 1.129 . . . . 6.0 112.939 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -56.27 -37.49 69.9 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 120.319 1.418 . . . . 6.0 111.882 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -70.45 -13.22 62.03 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.102 1.361 . . . . 6.0 114.277 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 410' ' ' SER . 28.1 mt -68.15 132.37 47.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.82 1.191 . . . . 6.0 111.009 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.37 103.55 3.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.759 0.823 . . . . 6.0 109.297 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -5.19 59.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.667 1.587 . . . . 6.0 115.154 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.74 -42.96 98.21 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 114.35 1.241 . . . . 6.0 114.35 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.2 -26.87 12.18 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 122.11 1.789 . . . . 6.0 111.128 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -17.53 63.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 6.0 112.861 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -50.56 -24.33 3.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.601 1.334 . . . . 6.0 114.601 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.7 pt -68.91 -29.3 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 118.959 0.8 . . . . 6.0 112.348 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -83.53 -10.91 58.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.276 1.83 . . . . 6.0 114.038 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -44.38 -27.0 0.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.138 2.644 . . . . 6.0 118.138 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -147.8 37.44 0.89 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.434 1.015 . . . . 6.0 111.687 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.7 m -123.5 21.79 9.32 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.996 1.318 . . . . 6.0 114.068 -174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.9 t -143.6 153.96 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.477 1.111 . . . . 6.0 111.423 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -118.72 85.93 2.45 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.225 1.81 . . . . 6.0 107.65 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.7 -36.41 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.735 1.214 . . . . 6.0 111.885 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.0 mt-10 -90.51 -19.98 23.19 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.282 1.956 . . . . 6.0 116.282 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -98.91 -17.51 18.33 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.536 1.516 . . . . 6.0 114.992 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -39.78 85.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 6.0 110.738 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.6 139.56 86.45 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.341 1.456 . . . . 6.0 113.092 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.3 16.01 1.1 Allowed 'Trans proline' 0 CA--C 1.552 1.381 0 C-N-CA 124.252 3.301 . . . . 6.0 114.513 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.308 0.7 OUTLIER 48.74 34.04 4.84 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.309 2.244 . . . . 6.0 116.889 -179.601 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -91.51 -65.75 1.15 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.503 0.573 . . . . 6.0 113.899 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . 0.543 ' H ' HD12 ' B' ' 823' ' ' LEU . 11.5 m-20 -157.78 159.07 30.68 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 125.163 1.385 . . . . 6.0 114.23 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -71.86 -35.92 6.83 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 121.296 1.331 . . . . 6.0 109.561 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.16 -13.54 62.05 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.108 2.163 . . . . 6.0 113.802 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . 0.543 HD12 ' H ' ' B' ' 820' ' ' ASP . 2.4 mt -51.28 -27.96 10.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.551 1.94 . . . . 6.0 112.443 175.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.9 -23.62 0.82 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.902 2.081 . . . . 6.0 114.162 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -62.37 -25.27 66.59 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.448 1.023 . . . . 6.0 114.439 176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -138.64 -20.62 1.02 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.621 1.341 . . . . 6.0 114.621 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.12 -11.74 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.783 1.401 . . . . 6.0 114.783 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.1 t -153.68 -164.85 1.98 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.018 0.927 . . . . 6.0 113.372 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 27.9 m -36.98 157.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.036 1 C-N-CA 132.15 4.18 . . . . 6.0 116.239 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . 0.414 ' H ' ' CB ' ' B' ' 833' ' ' TYR . 30.5 t0 -142.75 173.29 11.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.243 1.417 . . . . 6.0 113.574 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -49.07 -44.33 41.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.419 1.487 . . . . 6.0 113.827 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.96 -27.78 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.899 0.88 . . . . 6.0 112.312 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . 0.414 ' CB ' ' H ' ' B' ' 830' ' ' ASP . 0.5 OUTLIER -70.43 -24.55 62.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.882 2.073 . . . . 6.0 113.046 177.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 16.9 m -119.48 12.62 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.2 1.8 . . . . 6.0 111.157 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . 0.266 28.0 p 47.45 7.76 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 130.417 3.487 . . . . 6.0 118.951 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.01 153.06 71.33 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 126.135 1.774 . . . . 6.0 111.374 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.13 -14.56 28.86 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.343 2.695 . . . . 6.0 114.488 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.472 0.672 0 C-N-CA 125.474 1.51 . . . . 6.0 111.959 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.864 0 N-CA-C 113.671 0.989 . . . . 6.0 113.671 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.3 p -65.17 -7.34 12.2 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.382 1.873 . . . . 6.0 115.663 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -166.45 174.96 41.95 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.684 1.135 . . . . 6.0 113.528 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.96 -27.4 79.67 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.637 2.891 . . . . 6.0 113.316 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 21.4 p -67.85 -4.97 14.38 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.833 1.653 . . . . 6.0 113.653 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -141.26 21.74 2.23 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.298 1.839 . . . . 6.0 111.266 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.82 110.76 4.13 Favored Pre-proline 0 CA--C 1.555 1.165 0 O-C-N 120.257 -1.527 . . . . 6.0 113.581 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.88 -42.64 65.0 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.031 3.154 . . . . 6.0 115.999 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.43 -47.36 67.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.289 -0.882 . . . . 6.0 111.435 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -41.34 98.73 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.851 0.46 . . . . 6.0 110.36 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -54.8 -47.62 73.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.063 1.345 . . . . 6.0 110.863 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.466 1.106 . . . . 6.0 112.431 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.01 -47.49 61.91 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.958 1.096 . . . . 6.0 113.958 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -39.0 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 120.368 1.44 . . . . 6.0 110.459 174.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.38 -48.17 77.43 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.131 0.878 . . . . 6.0 112.867 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -68.09 -44.22 76.74 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.18 -0.914 . . . . 6.0 112.462 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.87 -45.78 90.94 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.838 1.199 . . . . 6.0 110.597 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.63 -58.47 6.27 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.199 0.999 . . . . 6.0 110.663 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.458 HG21 HG23 ' B' ' 812' ' ' ILE . 25.9 t -60.23 -40.05 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 113.398 0.888 . . . . 6.0 113.398 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.453 HD21 HD12 ' A' ' 381' ' ' LEU . 11.1 mt -58.72 -38.06 77.5 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.794 0.725 . . . . 6.0 111.61 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.11 -44.51 79.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.635 0.652 . . . . 6.0 110.541 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.63 -44.02 76.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.708 0.403 . . . . 6.0 110.924 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -64.63 -57.48 8.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.929 0.491 . . . . 6.0 111.069 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.44 -37.12 62.28 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.073 1.138 . . . . 6.0 114.073 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -55.98 -54.06 49.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.515 0.726 . . . . 6.0 111.05 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -71.47 -35.46 70.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.511 0.724 . . . . 6.0 111.707 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 10.1 t -61.04 -39.74 90.97 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 119.615 1.098 . . . . 6.0 111.705 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -59.42 -34.26 72.27 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.937 -1.102 . . . . 6.0 110.678 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.62 -38.75 47.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.436 1.494 . . . . 6.0 111.816 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -51.72 -43.34 62.8 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.52 2.328 . . . . 6.0 112.43 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.24 -52.32 66.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 6.0 111.515 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.58 -37.34 79.79 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.491 0.717 . . . . 6.0 112.281 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.97 98.39 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.402 1.081 . . . . 6.0 112.326 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.63 48.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.921 0.488 . . . . 6.0 111.497 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 65.43 -5.09 1.67 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 118.749 2.259 . . . . 6.0 118.749 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -135.42 12.47 3.5 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.771 1.785 . . . . 6.0 114.44 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.461 HG22 ' H ' ' A' ' 378' ' ' ALA . 7.9 p -156.42 146.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.69 1.196 . . . . 6.0 112.008 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 5.92 7.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.435 1.894 . . . . 6.0 114.124 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' ' 376' ' ' VAL . . . -68.92 152.21 45.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.119 1.368 . . . . 6.0 113.306 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.7 t -154.16 -174.71 5.07 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.012 2.125 . . . . 6.0 110.422 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.0 m -137.6 -10.26 1.63 Allowed 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.175 1.546 . . . . 6.0 115.175 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER -70.37 124.51 90.95 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-N 120.412 1.46 . . . . 6.0 111.464 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 381' ' ' LEU . 44.4 Cg_exo -44.09 -30.67 3.49 Favored 'Trans proline' 0 CA--C 1.54 0.821 1 C-N-CA 126.039 4.493 . . . . 6.0 118.337 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -131.36 22.74 4.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.955 1.302 . . . . 6.0 113.027 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . 0.421 ' SG ' ' NZ ' ' A' ' 388' ' ' LYS . 1.8 t -53.13 -48.56 67.81 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.202 -0.936 . . . . 6.0 112.298 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -33.94 73.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.994 0.918 . . . . 6.0 112.896 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 71.0 m -63.4 -50.06 71.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.704 1.201 . . . . 6.0 108.76 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -44.85 83.84 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 6.0 111.67 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . 0.421 ' NZ ' ' SG ' ' A' ' 384' ' ' CYS . 44.5 mttp -55.9 -43.63 77.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.694 1.134 . . . . 6.0 111.626 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -65.01 -43.47 92.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.43 0.692 . . . . 6.0 111.809 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.26 -41.77 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.812 0.845 . . . . 6.0 110.655 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.41 -49.47 69.11 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.053 1.341 . . . . 6.0 111.959 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -62.02 -38.89 90.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.209 0.458 . . . . 6.0 111.675 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -59.73 -49.49 77.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.301 -0.629 . . . . 6.0 109.301 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.4 mtp -53.32 -38.17 62.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.033 1.333 . . . . 6.0 111.465 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.36 0.73 1.95 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 177.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -130.14 -25.45 2.48 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.708 1.603 . . . . 6.0 112.723 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.18 155.23 28.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.075 1.75 . . . . 6.0 114.008 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -142.67 7.08 1.67 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.738 2.015 . . . . 6.0 113.121 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.66 2.1 23.83 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.02 -132.82 45.14 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.053 -1.029 . . . . 6.0 113.941 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -76.68 3.71 11.07 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.601 1.56 . . . . 6.0 113.888 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -120.54 15.85 12.02 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.954 1.464 . . . . 6.0 114.954 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.45 150.0 27.9 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.966 1.098 . . . . 6.0 113.966 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.51 -27.43 63.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.405 1.482 . . . . 6.0 111.77 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.17 112.15 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 108.032 -1.099 . . . . 6.0 108.032 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.29 -41.84 60.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.334 1.605 . . . . 6.0 115.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -80.15 -29.45 38.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.976 1.102 . . . . 6.0 113.976 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.27 -65.08 0.67 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.177 1.391 . . . . 6.0 112.497 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.8 70.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.378 0.881 . . . . 6.0 113.378 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.451 ' HA ' HD22 ' B' ' 798' ' ' LEU . 66.6 m -70.06 -44.75 68.49 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.993 -0.442 . . . . 6.0 111.729 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.6 m -59.92 -47.56 85.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.563 1.145 . . . . 6.0 111.43 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -49.04 -38.34 23.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.584 1.954 . . . . 6.0 112.325 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -82.54 -43.78 16.7 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.461 1.104 . . . . 6.0 112.152 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.2 tt -55.66 -45.71 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.817 1.247 . . . . 6.0 113.701 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.473 HD13 HG11 ' B' ' 829' ' ' VAL . 16.9 mt -57.34 -47.99 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.47 1.508 . . . . 6.0 111.486 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.1 m -56.18 -27.18 53.46 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.517 1.303 . . . . 6.0 114.517 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.38 -61.85 1.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.146 0.885 . . . . 6.0 110.829 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -55.66 -37.48 68.33 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.229 1.412 . . . . 6.0 113.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -65.68 -9.95 32.0 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.884 1.274 . . . . 6.0 114.055 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -133.44 -27.52 1.55 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.202 1.927 . . . . 6.0 116.202 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 17.8 t -64.73 147.08 53.81 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 120.165 1.348 . . . . 6.0 113.703 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.1 p -138.29 -6.03 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.333 1.853 . . . . 6.0 113.928 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.41 117.31 5.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.319 1.448 . . . . 6.0 111.073 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -67.9 -7.95 32.61 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -126.84 15.58 7.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.843 1.257 . . . . 6.0 113.256 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.3 t -56.53 125.66 67.5 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 107.137 -1.431 . . . . 6.0 107.137 173.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.78 -43.21 32.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.188 1.925 . . . . 6.0 112.0 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.19 -53.51 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.324 1.05 . . . . 6.0 111.048 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.545 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 78.5 m -68.45 -28.36 66.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.102 1.519 . . . . 6.0 115.102 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.0 tp -42.42 -54.11 8.36 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 121.308 1.867 . . . . 6.0 114.933 -174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.93 -35.82 97.94 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 CA-C-N 122.387 1.888 . . . . 6.0 113.368 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.15 -36.3 72.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.475 1.489 . . . . 6.0 111.284 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.545 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 48.0 mttt -71.36 -24.05 62.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.162 1.785 . . . . 6.0 110.321 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.1 -34.39 26.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.435 1.494 . . . . 6.0 110.08 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.694 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -63.55 -179.38 0.35 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.126 1.77 . . . . 6.0 107.489 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 26.5 p 61.77 17.46 8.8 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.057 -1.652 . . . . 6.0 113.103 -174.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.0 t70 58.77 14.25 3.11 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.638 2.375 . . . . 6.0 114.71 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -13.24 59.36 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.965 -1.084 . . . . 6.0 113.44 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 129.07 2.948 . . . . 6.0 114.22 175.472 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 121.295 0.386 . . . . 6.0 114.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 82.4 p -154.72 175.57 13.53 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.217 1.407 . . . . 6.0 112.262 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -73.41 -7.5 51.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.354 1.061 . . . . 6.0 113.85 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 94.1 mmm -64.58 139.36 58.76 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.484 1.114 . . . . 6.0 112.212 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.77 147.62 98.64 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 123.929 0.891 . . . . 6.0 112.7 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -70.87 133.34 23.34 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.645 2.23 . . . . 6.0 111.695 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -154.35 116.13 2.53 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 125.245 1.418 . . . . 6.0 109.32 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.62 161.15 10.32 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.69 2.26 . . . . 6.0 113.692 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -63.86 109.57 1.8 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.111 1.764 . . . . 6.0 113.721 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . 0.462 HD23 ' HD2' ' B' ' 792' ' ' PRO . 1.6 tt -57.54 123.53 62.71 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 126.138 1.775 . . . . 6.0 111.188 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . 0.462 ' HD2' HD23 ' B' ' 791' ' ' LEU . 11.2 Cg_endo -50.66 128.94 25.41 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.338 2.692 . . . . 6.0 113.343 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -54.13 -35.92 62.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.367 1.247 . . . . 6.0 114.367 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.8 -27.72 63.12 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.178 0.991 . . . . 6.0 112.658 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.17 -38.11 13.72 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . 0.411 ' HB3' HD22 ' B' ' 791' ' ' LEU . 13.8 ptt180 -60.74 -24.45 65.73 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.31 1.414 . . . . 6.0 112.772 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.64 -23.07 65.31 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.465 1.906 . . . . 6.0 113.186 174.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 410' ' ' SER . 53.7 mt -66.25 131.52 46.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.143 0.977 . . . . 6.0 110.71 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -73.2 114.14 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.345 -0.983 . . . . 6.0 108.345 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -1.03 57.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.125 1.77 . . . . 6.0 115.262 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.56 -45.56 99.66 Favored Pre-proline 0 CA--C 1.547 0.847 0 CA-C-N 120.22 1.373 . . . . 6.0 112.946 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -61.58 -37.23 71.35 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.236 1.958 . . . . 6.0 111.825 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -18.45 61.17 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.84 -24.56 16.07 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.27 1.395 . . . . 6.0 114.378 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 15.9 pt -64.62 -28.51 44.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 119.241 0.928 . . . . 6.0 111.77 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.06 -9.92 54.26 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.902 2.081 . . . . 6.0 114.179 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -43.0 -26.58 0.15 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 118.0 2.592 . . . . 6.0 118.0 -171.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -148.97 41.39 0.92 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.049 1.295 . . . . 6.0 111.868 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 3.5 m -125.56 22.46 7.62 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.701 1.371 . . . . 6.0 114.701 -174.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.3 t -143.35 155.04 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.174 0.99 . . . . 6.0 111.973 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -122.78 81.43 1.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.311 1.844 . . . . 6.0 109.04 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -45.22 -40.51 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.481 1.912 . . . . 6.0 113.055 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.694 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.5 mt-10 -87.31 -19.86 27.63 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.49 1.663 . . . . 6.0 115.49 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -97.69 -23.74 15.81 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.61 1.337 . . . . 6.0 114.61 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -42.92 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.72 1.208 . . . . 6.0 111.813 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 21.4 tpp -57.97 140.27 82.23 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.205 1.802 . . . . 6.0 113.053 -175.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -69.18 25.09 0.16 Allowed 'Trans proline' 0 CA--C 1.553 1.457 0 C-N-CA 124.833 3.689 . . . . 6.0 116.244 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 0.9 OUTLIER 43.76 31.46 0.47 Allowed 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 127.999 2.52 . . . . 6.0 117.697 175.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -110.9 -66.11 0.53 Allowed Glycine 0 N--CA 1.477 1.401 0 CA-C-N 119.098 0.863 . . . . 6.0 115.053 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -154.91 151.64 23.67 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 125.934 1.694 . . . . 6.0 111.486 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -86.33 -49.7 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.69 2.26 . . . . 6.0 113.401 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.76 -18.0 52.3 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.251 1.42 . . . . 6.0 113.331 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.265 0.1 OUTLIER -55.16 -17.54 4.41 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 129.343 3.057 . . . . 6.0 111.754 173.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -46.14 -33.93 3.9 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.166 1.787 . . . . 6.0 113.868 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -54.75 -20.35 18.11 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.19 1.376 . . . . 6.0 114.876 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -136.84 17.35 3.05 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.404 1.882 . . . . 6.0 112.787 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -128.95 -10.67 4.84 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 116.72 2.119 . . . . 6.0 116.72 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 11.5 t -150.93 -175.47 5.15 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.532 -0.73 . . . . 6.0 112.846 -175.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . 0.473 HG11 HD13 ' A' ' 415' ' ' ILE . 2.6 t -35.76 137.09 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 128.618 2.767 . . . . 6.0 113.363 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.22 177.85 7.49 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.578 2.066 . . . . 6.0 116.578 -170.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.12 -40.05 80.27 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.502 -1.374 . . . . 6.0 111.999 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.7 4.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.82 1.648 . . . . 6.0 112.364 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -115.06 -42.13 3.24 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.392 1.877 . . . . 6.0 113.274 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 33.0 m -70.24 -3.98 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.225 1.01 . . . . 6.0 113.61 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 8.1 t -151.19 179.86 7.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.563 2.345 . . . . 6.0 110.132 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.37 142.07 15.39 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 125.143 1.377 . . . . 6.0 113.021 176.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.45 165.25 32.37 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.068 2.512 . . . . 6.0 112.912 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 125.863 1.665 . . . . 6.0 111.592 179.486 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.523 ' N ' ' HG1' ' A' ' 344' ' ' THR . . . . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 114.55 1.315 . . . . 6.0 114.55 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 71.3 p -138.54 -27.89 0.84 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.804 1.642 . . . . 6.0 113.933 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 154.4 -81.26 0.18 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.856 1.217 . . . . 6.0 111.858 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.59 -21.35 65.67 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.283 2.655 . . . . 6.0 112.255 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.523 ' HG1' ' N ' ' A' ' 340' ' ' ALA . 17.4 p -71.67 -11.61 60.92 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.866 2.067 . . . . 6.0 113.363 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -128.27 -34.89 2.04 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.916 1.286 . . . . 6.0 113.914 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.1 t0 19.43 88.39 0.06 OUTLIER Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 130.077 3.351 . . . . 6.0 115.662 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.97 -38.95 32.25 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.856 3.704 . . . . 6.0 115.57 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.28 -50.87 50.69 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.832 0.853 . . . . 6.0 111.197 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -62.03 -44.88 95.76 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.064 0.945 . . . . 6.0 111.085 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -50.89 -42.77 59.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.406 1.482 . . . . 6.0 111.371 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.51 -40.89 89.43 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.676 0.671 . . . . 6.0 112.413 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 807' ' ' ARG . 62.7 mt -58.89 -50.11 75.25 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.942 1.09 . . . . 6.0 113.942 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -41.99 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 120.043 1.292 . . . . 6.0 111.038 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -54.84 -47.41 74.17 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.58 1.082 . . . . 6.0 112.26 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.85 -47.05 82.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.651 1.18 . . . . 6.0 111.994 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.92 -43.43 95.94 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.741 1.155 . . . . 6.0 111.31 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.56 -55.79 27.86 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.683 0.793 . . . . 6.0 110.325 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.1 -39.62 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.951 0.722 . . . . 6.0 112.951 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 381' ' ' LEU . 13.8 mt -59.98 -40.95 90.88 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.811 0.732 . . . . 6.0 111.502 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.931 0.787 . . . . 6.0 110.377 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.74 -44.77 77.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.05 0.54 . . . . 6.0 111.339 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -62.59 -59.98 4.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.761 0.424 . . . . 6.0 110.337 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.29 -40.43 61.79 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.255 1.576 . . . . 6.0 115.255 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.91 -51.88 67.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.893 0.77 . . . . 6.0 111.754 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -69.92 -33.42 72.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.323 0.649 . . . . 6.0 111.443 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.62 -33.95 77.14 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.532 -0.73 . . . . 6.0 111.238 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -65.65 -33.52 76.09 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.973 -1.704 . . . . 6.0 109.603 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -67.7 -45.74 74.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.274 1.03 . . . . 6.0 109.992 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -54.68 -46.7 74.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.666 1.986 . . . . 6.0 111.949 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.96 -47.92 83.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.184 0.994 . . . . 6.0 111.747 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.69 -37.43 82.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.39 0.676 . . . . 6.0 112.517 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.69 92.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.068 0.947 . . . . 6.0 111.624 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -71.09 -46.17 62.3 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.939 0.896 . . . . 6.0 111.139 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 78.48 -9.4 35.31 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.577 1.561 . . . . 6.0 116.487 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -146.18 38.18 1.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.185 1.493 . . . . 6.0 111.344 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 144.31 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.545 1.538 . . . . 6.0 113.966 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -102.48 -48.55 4.12 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.043 1.337 . . . . 6.0 112.487 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -161.44 -173.12 3.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.673 1.189 . . . . 6.0 113.674 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.3 t -138.58 -167.85 2.28 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.128 2.571 . . . . 6.0 109.475 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 60.5 m -128.57 -6.76 5.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.787 1.635 . . . . 6.0 114.571 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.634 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER -93.84 124.26 57.13 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-N 119.573 1.079 . . . . 6.0 112.382 -179.658 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 381' ' ' LEU . 75.9 Cg_exo -46.15 -32.67 10.52 Favored 'Trans proline' 0 C--N 1.354 0.834 1 C-N-CA 125.696 4.264 . . . . 6.0 117.224 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -123.77 18.86 9.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.174 1.39 . . . . 6.0 113.89 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.82 -49.46 68.32 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.526 0.679 . . . . 6.0 110.497 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -31.64 72.88 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 24.2 m -66.16 -51.33 58.83 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.734 1.214 . . . . 6.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -46.54 85.74 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.833 1.253 . . . . 6.0 111.471 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -56.5 -41.63 76.98 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.68 1.127 . . . . 6.0 112.055 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -64.73 -43.8 92.24 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.268 0.627 . . . . 6.0 111.793 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.75 -38.74 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.108 0.963 . . . . 6.0 111.164 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.02 -50.08 51.98 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 125.261 1.425 . . . . 6.0 111.692 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -59.25 -35.97 74.66 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 122.234 0.214 . . . . 6.0 111.423 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.62 -51.91 63.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.774 -0.579 . . . . 6.0 109.527 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.0 mtp -53.82 -34.52 59.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.896 1.278 . . . . 6.0 113.143 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.419 HG23 ' HA ' ' B' ' 833' ' ' TYR . 0.3 OUTLIER -63.65 -13.84 46.33 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.09 1.144 . . . . 6.0 114.09 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -124.93 -23.42 4.28 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.179 1.391 . . . . 6.0 113.043 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.92 137.73 57.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.099 1.36 . . . . 6.0 111.226 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -128.5 0.6 5.6 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 6.0 112.888 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.47 59.68 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.188 0.995 . . . . 6.0 112.796 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 47.32 -116.2 2.51 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.294 1.426 . . . . 6.0 112.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.1 -26.77 28.98 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.342 1.457 . . . . 6.0 114.003 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -94.8 1.48 55.41 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.244 1.418 . . . . 6.0 114.466 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.6 t -62.69 165.89 6.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 122.184 0.993 . . . . 6.0 112.257 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -110.19 -9.73 14.67 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.247 1.819 . . . . 6.0 112.767 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 65.6 t -83.99 117.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 107.935 -1.135 . . . . 6.0 107.935 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -54.42 -38.93 66.84 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.469 2.026 . . . . 6.0 116.469 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -88.1 -26.59 22.43 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.119 1.155 . . . . 6.0 114.119 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.15 -63.23 1.22 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.527 1.931 . . . . 6.0 113.7 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.05 87.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.562 0.578 . . . . 6.0 112.562 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.504 ' HA ' HD22 ' B' ' 798' ' ' LEU . 70.3 m -65.8 -46.25 79.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.395 0.278 . . . . 6.0 111.568 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.3 m -57.34 -45.54 84.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.728 1.211 . . . . 6.0 111.564 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.454 ' HB2' HH11 ' A' ' 412' ' ' ARG . 0.0 OUTLIER -49.85 -36.27 26.28 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.901 1.68 . . . . 6.0 112.9 176.346 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -89.97 -41.12 11.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.943 1.297 . . . . 6.0 112.04 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.51 -40.56 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.02 0.928 . . . . 6.0 112.715 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 46.8 mt -60.3 -48.69 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.522 1.529 . . . . 6.0 110.223 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 m -59.19 -25.03 63.61 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.009 1.485 . . . . 6.0 115.009 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -69.18 -54.39 15.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.986 1.266 . . . . 6.0 111.32 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -59.52 -30.58 68.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.009 0.924 . . . . 6.0 112.61 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.49 -15.76 63.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.035 1.334 . . . . 6.0 114.558 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.16 -24.79 2.06 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.899 2.185 . . . . 6.0 116.899 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.26 103.27 1.91 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 120.221 1.373 . . . . 6.0 113.338 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 38.1 p -87.52 -8.16 56.72 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.056 1.342 . . . . 6.0 113.147 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 74.5 mtm180 -62.1 123.69 18.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.622 1.569 . . . . 6.0 112.99 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.76 -3.57 38.89 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.432 0.53 . . . . 6.0 112.432 173.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -125.79 10.23 7.69 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.318 1.599 . . . . 6.0 115.318 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . 0.41 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 23.4 t -58.01 132.92 83.72 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.062 0.945 . . . . 6.0 108.97 174.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.22 -43.31 24.24 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.491 2.127 . . . . 6.0 111.661 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.92 -52.46 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.935 1.294 . . . . 6.0 111.157 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 89.9 m -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.216 1.562 . . . . 6.0 115.216 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -59.12 2.14 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 121.047 1.749 . . . . 6.0 114.228 -175.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.67 -40.03 87.69 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.222 1.948 . . . . 6.0 113.002 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.04 -41.6 81.85 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.492 1.496 . . . . 6.0 112.058 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -65.44 -25.95 67.74 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 6.0 110.634 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -81.18 -43.15 19.74 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.461 1.504 . . . . 6.0 109.976 173.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -59.16 -14.04 9.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.913 2.485 . . . . 6.0 114.249 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 87.8 p -137.51 20.39 2.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.301 1.84 . . . . 6.0 113.367 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.34 131.51 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.7 2.8 . . . . 6.0 115.415 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.03 -25.26 63.55 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.683 1.593 . . . . 6.0 114.73 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 128.54 2.736 . . . . 6.0 114.189 -178.669 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 114.505 0.562 . . . . 6.0 114.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 23.3 m -65.86 -18.74 65.54 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.121 1.368 . . . . 6.0 114.301 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -148.6 -39.26 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.036 1.734 . . . . 6.0 111.64 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 46.0 tpp -149.54 148.85 29.87 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.888 1.675 . . . . 6.0 109.911 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 29.9 m -67.49 152.89 95.79 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 124.502 1.121 . . . . 6.0 112.426 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.51 145.98 83.79 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.392 2.062 . . . . 6.0 110.347 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -147.67 114.51 4.07 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.376 0.67 . . . . 6.0 112.359 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.75 157.07 24.94 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.927 2.418 . . . . 6.0 112.417 175.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.05 111.35 2.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.315 1.046 . . . . 6.0 112.969 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.82 124.01 34.1 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.138 2.175 . . . . 6.0 109.767 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -49.66 124.96 13.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.453 2.768 . . . . 6.0 113.291 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -50.05 -38.09 36.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.083 1.353 . . . . 6.0 114.281 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.22 -26.34 65.66 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.542 1.137 . . . . 6.0 113.04 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.05 -25.92 20.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.656 1.183 . . . . 6.0 112.347 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -56.95 -35.34 69.0 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 119.927 1.24 . . . . 6.0 112.213 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.49 -16.32 62.9 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.69 1.367 . . . . 6.0 114.69 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.9 mt -67.34 138.66 56.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.719 1.145 . . . . 6.0 112.354 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 101.87 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.502 0.721 . . . . 6.0 110.223 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 3.0 p -88.27 -9.66 52.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.959 1.304 . . . . 6.0 114.082 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.8 -46.28 99.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 119.934 1.243 . . . . 6.0 113.913 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -23.2 21.23 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 CA-C-N 121.557 1.592 . . . . 6.0 111.167 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.8 mtt -66.28 -17.36 64.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.076 0.95 . . . . 6.0 112.934 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -52.09 -24.73 7.31 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.382 1.253 . . . . 6.0 114.382 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -64.49 -28.92 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.11 0.868 . . . . 6.0 112.318 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -82.89 -12.94 56.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.719 1.607 . . . . 6.0 114.092 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . 0.427 ' HB2' HD21 ' A' ' 352' ' ' LEU . 39.0 tpt85 -48.76 -26.16 2.21 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.808 2.151 . . . . 6.0 116.808 -174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -138.42 33.6 2.29 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.8 1.24 . . . . 6.0 111.707 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 6.1 m -132.02 21.57 4.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.217 1.562 . . . . 6.0 115.217 -174.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.8 t -145.76 153.1 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.127 0.971 . . . . 6.0 112.467 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -119.77 86.29 2.53 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.147 2.179 . . . . 6.0 107.82 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -45.97 -37.14 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.275 1.43 . . . . 6.0 112.949 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.0 mt-10 -95.3 -19.9 19.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.481 2.03 . . . . 6.0 116.481 -176.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.62 -21.15 19.57 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.419 1.463 . . . . 6.0 114.736 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -41.89 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.638 1.575 . . . . 6.0 112.43 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 54.4 mmm -66.68 156.91 85.26 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 129.214 3.006 . . . . 6.0 115.921 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.36 -7.97 21.85 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.195 3.263 . . . . 6.0 116.218 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 65.1 t30 48.43 57.28 6.4 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.515 1.526 . . . . 6.0 115.047 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -142.94 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.536 1.396 0 C-N-CA 123.913 0.768 . . . . 6.0 114.746 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -154.52 143.0 14.51 Favored Pre-proline 0 N--CA 1.476 0.843 0 CA-C-N 118.528 1.164 . . . . 6.0 112.63 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.46 -39.87 0.1 Allowed 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.784 2.323 . . . . 6.0 112.448 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.31 -21.1 64.99 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.839 1.256 . . . . 6.0 112.82 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -16.29 10.64 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 128.571 2.748 . . . . 6.0 111.368 173.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -46.26 -38.24 8.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 6.0 113.236 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.31 -15.13 10.08 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.238 1.399 . . . . 6.0 115.875 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -130.61 8.2 4.92 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.993 2.117 . . . . 6.0 112.654 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -130.61 -3.13 4.23 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.489 1.292 . . . . 6.0 114.489 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 34.5 p -101.47 170.5 8.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.923 1.289 . . . . 6.0 113.785 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.81 108.66 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 127.442 2.297 . . . . 6.0 108.922 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -57.43 161.91 3.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 119.01 2.967 . . . . 6.0 119.01 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -53.0 -44.81 67.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.971 1.708 . . . . 6.0 113.823 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.11 -25.48 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.275 0.63 . . . . 6.0 111.626 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . 0.419 ' HA ' HG23 ' A' ' 395' ' ' THR . 0.7 OUTLIER -71.1 -38.66 72.36 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 6.0 112.205 178.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.6 18.98 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.541 1.537 . . . . 6.0 112.588 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 87.9 p 27.1 -75.18 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 131.044 3.738 . . . . 6.0 118.037 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.58 125.76 18.71 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 127.33 2.252 . . . . 6.0 109.982 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.05 -10.86 19.64 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.253 2.636 . . . . 6.0 113.519 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 127.007 2.123 . . . . 6.0 113.906 -178.701 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 113.552 0.945 . . . . 6.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 46.0 p -68.81 -19.71 64.29 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.122 1.369 . . . . 6.0 114.038 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 175.06 -174.74 46.92 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.865 1.698 . . . . 6.0 112.221 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.89 -26.06 78.71 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.203 2.602 . . . . 6.0 112.821 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 25.2 p -68.65 -5.52 20.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.968 1.707 . . . . 6.0 113.564 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.32 24.73 1.93 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.193 1.797 . . . . 6.0 112.064 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.1 110.56 2.27 Favored Pre-proline 0 CA--C 1.554 1.122 0 O-C-N 121.257 -0.902 . . . . 6.0 111.581 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.61 -42.26 63.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.0 3.133 . . . . 6.0 114.874 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.76 -45.94 73.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.755 0.822 . . . . 6.0 111.576 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -61.08 -47.35 86.71 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.666 -0.646 . . . . 6.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.42 -42.83 64.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.079 1.352 . . . . 6.0 110.961 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -62.29 -44.97 95.29 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.878 0.871 . . . . 6.0 111.483 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 70.4 mt -58.01 -50.43 73.43 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.878 1.436 . . . . 6.0 114.878 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 120.413 1.461 . . . . 6.0 111.13 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.04 -44.88 79.23 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.435 1.016 . . . . 6.0 111.666 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -65.36 -48.26 73.57 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.624 1.17 . . . . 6.0 112.479 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.181 1.355 . . . . 6.0 110.759 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.34 -56.54 19.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.498 0.719 . . . . 6.0 110.348 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.12 -39.2 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 113.276 0.843 . . . . 6.0 113.276 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.483 HD21 HD12 ' A' ' 381' ' ' LEU . 13.1 mt -60.48 -40.15 90.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.98 0.809 . . . . 6.0 111.521 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.33 -44.85 86.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.89 0.768 . . . . 6.0 110.371 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 61.5 mt -57.75 -37.88 74.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.744 0.818 . . . . 6.0 111.957 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -68.04 -57.44 6.13 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.924 0.489 . . . . 6.0 109.738 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.82 -37.95 64.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.355 1.613 . . . . 6.0 115.355 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -58.23 -59.5 5.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.467 1.031 . . . . 6.0 111.064 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.95 -31.83 71.85 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.766 -0.584 . . . . 6.0 111.805 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.8 -36.46 83.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 119.237 0.926 . . . . 6.0 110.955 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.68 -15.59 63.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.167 -1.583 . . . . 6.0 112.226 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.11 -38.65 13.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.049 1.74 . . . . 6.0 110.279 172.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -53.39 -46.03 69.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.529 1.932 . . . . 6.0 110.881 173.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -58.1 -47.98 81.58 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.216 1.006 . . . . 6.0 112.048 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -68.42 -41.23 80.69 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.0 0.92 . . . . 6.0 112.519 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.68 90.12 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.634 1.174 . . . . 6.0 112.613 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -72.18 -24.85 61.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.455 0.702 . . . . 6.0 112.852 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 67.34 11.66 59.67 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.1 1.333 . . . . 6.0 114.783 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -156.91 141.71 16.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.3 2.24 . . . . 6.0 108.526 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 18.5 t -144.39 139.85 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.617 0.767 . . . . 6.0 111.591 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.27 -38.38 0.55 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.488 1.515 . . . . 6.0 112.624 174.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -159.49 -178.39 7.09 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.48 1.289 . . . . 6.0 114.48 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.3 t -142.39 -163.76 1.67 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 128.933 2.893 . . . . 6.0 108.716 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 98.6 p -132.21 -2.35 3.55 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.569 1.547 . . . . 6.0 114.496 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.65 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER -100.32 123.56 46.12 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.154 0.982 . . . . 6.0 112.535 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.65 ' HD2' HD13 ' A' ' 381' ' ' LEU . 47.1 Cg_exo -44.3 -31.88 4.72 Favored 'Trans proline' 0 C--N 1.356 0.923 1 C-N-CA 126.077 4.518 . . . . 6.0 118.046 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -130.36 23.02 5.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.726 1.21 . . . . 6.0 113.846 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.99 -48.09 70.74 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.426 -0.796 . . . . 6.0 111.248 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -34.33 74.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.33 1.052 . . . . 6.0 112.755 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 50.9 m -64.42 -50.16 68.7 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.395 1.078 . . . . 6.0 109.036 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.1 mmt -63.47 -44.97 92.88 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.513 1.125 . . . . 6.0 112.402 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -57.97 -44.28 86.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.537 1.135 . . . . 6.0 111.372 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.75 -39.97 88.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.249 0.62 . . . . 6.0 111.987 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.63 -45.12 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.256 1.022 . . . . 6.0 110.709 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.07 -45.8 87.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.957 1.303 . . . . 6.0 111.616 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.19 -43.79 92.2 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.862 -0.524 . . . . 6.0 110.834 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -60.01 -53.29 59.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.647 0.779 . . . . 6.0 110.51 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.1 mtp -51.8 -36.21 46.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.13 1.772 . . . . 6.0 113.213 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 29.2 m -66.76 -16.82 64.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.578 1.151 . . . . 6.0 113.288 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -122.08 -16.76 7.42 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.975 1.31 . . . . 6.0 113.829 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 39.5 t -62.97 143.06 58.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.783 1.633 . . . . 6.0 112.113 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -139.32 12.53 2.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.509 1.524 . . . . 6.0 112.584 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.71 -4.43 43.26 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.734 1.383 . . . . 6.0 114.734 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.35 -135.6 49.86 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.111 -0.993 . . . . 6.0 113.04 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -72.85 -11.28 60.53 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.521 1.128 . . . . 6.0 113.871 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -96.22 7.68 45.81 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.404 1.482 . . . . 6.0 114.067 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 42.7 t -54.15 139.2 36.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.193 1.397 . . . . 6.0 113.831 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.43 -20.95 58.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 6.0 112.717 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 93.0 t -87.68 104.07 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.069 0.938 . . . . 6.0 108.848 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -52.28 -33.31 41.48 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.849 1.426 . . . . 6.0 114.849 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -83.93 -19.18 35.14 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.215 1.191 . . . . 6.0 114.215 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 28.4 t -67.11 -65.79 0.64 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.344 1.429 . . . . 6.0 112.126 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.18 -34.15 70.02 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.375 0.88 . . . . 6.0 113.375 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.467 ' HA ' HD22 ' B' ' 798' ' ' LEU . 17.9 p -68.85 -52.48 29.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.313 0.506 . . . . 6.0 111.014 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.6 m -53.49 -45.87 69.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.468 1.107 . . . . 6.0 112.564 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -52.86 -36.25 58.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.805 1.242 . . . . 6.0 112.837 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -85.06 -42.6 14.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.131 0.972 . . . . 6.0 112.253 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -59.01 -41.42 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.75 1.22 . . . . 6.0 113.653 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.91 -47.64 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.622 1.569 . . . . 6.0 110.335 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.4 m -58.07 -23.42 54.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.5 1.667 . . . . 6.0 115.5 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -69.3 -54.88 12.35 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.457 1.48 . . . . 6.0 111.209 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -61.72 -28.82 69.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.695 0.798 . . . . 6.0 112.729 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.31 -11.51 60.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.332 1.234 . . . . 6.0 114.332 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -130.06 -32.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.701 1.741 . . . . 6.0 115.701 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 14.9 t -69.56 148.44 49.42 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.638 1.108 . . . . 6.0 113.063 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -140.22 -14.26 1.02 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.73 1.612 . . . . 6.0 114.455 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -61.59 119.62 9.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.664 1.186 . . . . 6.0 112.241 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -61.68 -9.92 7.38 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.154 2.279 . . . . 6.0 117.154 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -126.94 16.25 7.36 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.761 1.164 . . . . 6.0 113.667 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 24.2 t -52.52 125.97 37.67 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 125.573 1.549 . . . . 6.0 110.504 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -52.69 -22.43 17.29 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.681 3.587 . . . . 6.0 116.48 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 30.2 t -114.65 -39.17 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.611 1.164 . . . . 6.0 111.102 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.62 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 95.6 m -72.66 -26.87 61.79 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.256 -1.528 . . . . 6.0 113.622 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 430' ' ' LEU . 2.7 tm? -39.88 -58.25 2.26 Favored Pre-proline 0 N--CA 1.474 0.774 0 CA-C-N 120.541 1.518 . . . . 6.0 114.342 -175.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.64 -32.98 97.9 Favored 'Trans proline' 0 C--N 1.35 0.638 0 CA-C-N 121.717 1.649 . . . . 6.0 113.173 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.7 -45.44 52.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.485 1.493 . . . . 6.0 110.842 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.62 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.0 mttt -59.91 -27.27 66.6 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.364 1.465 . . . . 6.0 110.695 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -84.01 -43.38 15.21 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.583 1.953 . . . . 6.0 110.751 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -55.77 -28.99 58.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.542 1.937 . . . . 6.0 112.409 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.1 p -111.28 9.48 21.67 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.945 2.098 . . . . 6.0 114.489 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -63.86 164.45 10.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.795 0.838 . . . . 6.0 111.393 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -72.58 44.95 0.13 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.891 2.077 . . . . 6.0 113.333 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 127.714 2.406 . . . . 6.0 112.797 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 114.7 0.64 . . . . 6.0 114.7 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 94.7 p -139.18 -7.24 1.37 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.746 1.618 . . . . 6.0 114.757 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -156.51 168.91 25.92 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.807 1.643 . . . . 6.0 111.789 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 13.0 tpt -150.84 152.26 33.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.552 1.541 . . . . 6.0 110.721 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 30.5 m -63.59 147.64 95.26 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 124.05 0.94 . . . . 6.0 112.462 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.19 166.95 27.92 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.958 2.439 . . . . 6.0 112.864 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.22 129.08 91.92 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.823 1.649 . . . . 6.0 111.373 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.44 155.94 23.68 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.637 2.891 . . . . 6.0 111.093 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.67 103.46 2.13 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.793 -1.192 . . . . 6.0 113.822 -178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.1 tt -33.95 130.55 0.41 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 130.029 3.331 . . . . 6.0 111.925 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -54.27 126.99 24.0 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.538 2.159 . . . . 6.0 113.297 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -47.01 -41.85 17.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.349 1.86 . . . . 6.0 115.016 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.67 -27.76 67.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.075 0.95 . . . . 6.0 113.205 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 35.0 mt -90.02 -22.88 21.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.658 1.183 . . . . 6.0 113.132 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -55.39 -38.5 68.95 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 120.376 1.444 . . . . 6.0 111.985 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.17 -12.41 61.47 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.114 1.765 . . . . 6.0 114.672 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.9 mt -71.39 133.91 46.28 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.422 1.01 . . . . 6.0 111.294 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -73.25 107.49 5.6 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.8 p -88.92 -10.39 47.99 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.17 1.388 . . . . 6.0 114.397 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.93 -44.88 99.72 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 120.37 1.441 . . . . 6.0 113.467 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -62.01 -35.06 78.79 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.487 2.125 . . . . 6.0 112.072 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.4 mtt -63.87 -17.25 62.98 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.548 1.139 . . . . 6.0 113.521 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.46 -22.62 8.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.048 1.129 . . . . 6.0 114.048 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.18 -29.82 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.193 0.906 . . . . 6.0 112.028 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -85.46 -11.72 53.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.192 1.797 . . . . 6.0 114.42 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -49.81 -25.98 3.55 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 117.398 2.37 . . . . 6.0 117.398 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -136.42 32.35 2.82 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.428 1.491 . . . . 6.0 111.399 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.4 m -129.91 18.73 5.58 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.242 1.571 . . . . 6.0 115.242 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -144.82 146.05 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.023 0.929 . . . . 6.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -115.95 86.83 2.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.977 1.711 . . . . 6.0 107.13 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 812' ' ' ILE . 1.5 mt -45.23 -38.84 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.854 1.662 . . . . 6.0 112.819 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.2 mt-10 -86.03 -19.97 29.52 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.259 1.948 . . . . 6.0 116.259 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -95.69 -21.59 18.09 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.673 1.36 . . . . 6.0 114.673 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -38.7 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.696 1.198 . . . . 6.0 110.856 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 10.3 tpp -69.94 142.21 90.39 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.147 1.779 . . . . 6.0 112.803 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.71 2.02 5.1 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 123.487 2.791 . . . . 6.0 115.075 178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.78 31.0 2.86 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 128.584 2.754 . . . . 6.0 118.134 178.199 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -99.53 -46.18 2.01 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.835 0.731 . . . . 6.0 113.925 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -158.53 156.11 26.64 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.251 1.82 . . . . 6.0 111.492 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -86.4 -27.07 0.9 Allowed 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 123.118 2.546 . . . . 6.0 111.432 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 -18.1 47.83 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.41 1.884 . . . . 6.0 111.946 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.283 3.5 tm? -44.5 -26.35 0.35 Allowed 'General case' 0 CA--C 1.537 0.465 1 C-N-CA 132.606 4.362 . . . . 6.0 112.574 171.062 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -49.15 -36.14 18.51 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.148 1.379 . . . . 6.0 112.086 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -61.36 -9.35 16.38 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.465 1.507 . . . . 6.0 115.338 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -134.45 15.45 3.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.825 2.45 . . . . 6.0 112.133 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -135.56 -29.19 1.07 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.367 0.877 . . . . 6.0 113.367 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 71.5 p -82.11 -176.49 6.18 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.263 1.025 . . . . 6.0 111.625 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 12.5 m -135.23 149.47 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 124.488 1.115 . . . . 6.0 112.668 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -146.32 -104.39 0.1 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.858 1.263 . . . . 6.0 109.826 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.83 -20.73 16.4 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.375 -1.453 . . . . 6.0 114.297 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.46 -6.53 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.667 1.587 . . . . 6.0 114.324 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.07 -24.56 1.1 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.648 1.722 . . . . 6.0 115.648 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.18 152.45 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.879 1.218 . . . . 6.0 111.922 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 61.2 p -60.66 -30.15 69.72 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 115.666 1.728 . . . . 6.0 115.666 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -138.53 80.2 27.39 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.022 1.729 . . . . 6.0 111.049 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.88 -26.77 50.16 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 124.559 3.506 . . . . 6.0 115.707 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 125.63 1.572 . . . . 6.0 112.672 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 113.833 1.049 . . . . 6.0 113.833 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 11.1 t -154.17 169.13 24.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.903 1.681 . . . . 6.0 111.587 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 177.19 178.48 46.92 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.904 1.24 . . . . 6.0 113.61 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.11 -8.41 23.52 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.107 3.205 . . . . 6.0 114.208 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.9 p -67.39 -16.56 64.31 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.972 1.709 . . . . 6.0 113.843 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -121.93 130.13 53.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.833 2.053 . . . . 6.0 111.273 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -149.77 97.38 3.47 Favored Pre-proline 0 N--CA 1.475 0.777 0 C-N-CA 124.923 1.289 . . . . 6.0 109.428 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.21 -43.08 38.39 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 124.678 3.585 . . . . 6.0 116.224 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.94 -48.65 43.81 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.858 -0.526 . . . . 6.0 112.223 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.668 -0.645 . . . . 6.0 110.008 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -46.42 54.98 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.722 1.609 . . . . 6.0 111.615 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -72.0 -33.35 68.03 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.18 1.355 . . . . 6.0 113.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.44 -49.1 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.895 1.68 . . . . 6.0 113.016 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.98 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 119.901 1.228 . . . . 6.0 111.166 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -54.06 -48.69 70.34 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.31 1.414 . . . . 6.0 112.003 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.41 -46.92 78.1 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.609 1.564 . . . . 6.0 112.043 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.11 -43.92 97.1 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.713 1.142 . . . . 6.0 110.948 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.22 -56.17 22.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.422 0.689 . . . . 6.0 110.077 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.83 -38.51 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 113.491 0.923 . . . . 6.0 113.491 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.98 -38.5 82.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.055 0.843 . . . . 6.0 111.514 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.11 -43.97 90.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 6.0 110.371 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.39 -46.93 76.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.276 0.631 . . . . 6.0 111.106 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.05 -61.42 2.58 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.161 0.584 . . . . 6.0 110.286 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.81 61.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.354 1.462 . . . . 6.0 114.468 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -60.31 -54.12 49.48 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.415 1.007 . . . . 6.0 111.718 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -64.34 -37.5 87.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.499 -0.75 . . . . 6.0 111.574 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.14 -37.87 86.83 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.675 0.79 . . . . 6.0 110.93 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -62.88 -40.92 99.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.395 1.078 . . . . 6.0 109.668 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -58.67 -40.97 85.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.69 0.796 . . . . 6.0 111.286 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -56.4 -45.98 80.39 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.066 0.848 . . . . 6.0 111.539 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.83 -48.84 51.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.041 0.937 . . . . 6.0 111.614 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -59.89 -30.62 69.13 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.778 1.029 . . . . 6.0 113.778 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -67.75 -13.1 61.83 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.812 1.412 . . . . 6.0 114.812 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -144.26 -18.57 0.56 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.682 1.734 . . . . 6.0 115.682 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.94 22.69 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.266 1.889 . . . . 6.0 112.443 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -156.31 149.39 24.22 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.99 2.516 . . . . 6.0 108.209 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 378' ' ' ALA . 1.7 p -149.03 175.6 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.245 -0.91 . . . . 6.0 111.969 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . 0.452 ' H ' HG22 ' A' ' 376' ' ' VAL . 11.7 mpt_? -61.04 -6.6 1.99 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.286 1.834 . . . . 6.0 115.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . 0.566 ' H ' HG13 ' A' ' 376' ' ' VAL . . . 54.94 -159.4 0.18 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.716 2.006 . . . . 6.0 114.145 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.9 p -157.84 -168.97 2.68 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.809 2.444 . . . . 6.0 110.529 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 80.2 p -132.47 9.21 4.32 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.451 1.5 . . . . 6.0 114.426 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -60.35 115.45 13.47 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 125.209 1.404 . . . . 6.0 110.5 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 381' ' ' LEU . 1.4 Cg_exo -35.36 -35.11 0.12 Allowed 'Trans proline' 0 CA--C 1.541 0.825 1 C-N-CA 126.625 4.884 . . . . 6.0 121.52 -176.009 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.73 19.97 6.62 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.01 1.485 . . . . 6.0 115.01 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 13.0 t -52.36 -51.8 56.89 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.172 0.989 . . . . 6.0 111.335 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.55 -35.34 77.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.699 1.2 . . . . 6.0 113.057 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.9 m -63.51 -49.41 73.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.226 1.01 . . . . 6.0 109.455 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.1 mmt -66.33 -46.06 78.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.623 1.169 . . . . 6.0 112.25 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -54.53 -44.97 73.26 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.091 1.314 . . . . 6.0 111.51 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -60.77 -44.24 97.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.719 0.808 . . . . 6.0 112.198 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -36.87 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.178 0.991 . . . . 6.0 111.736 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.38 -49.3 56.64 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 124.794 1.237 . . . . 6.0 111.434 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.08 -32.83 72.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 111.819 0.303 . . . . 6.0 111.819 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -65.88 -50.95 62.67 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.482 -0.761 . . . . 6.0 109.375 173.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 67.1 mtp -52.85 -33.57 50.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.871 1.269 . . . . 6.0 112.801 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -11.72 46.07 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.686 1.365 . . . . 6.0 114.686 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -127.04 -13.82 5.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.852 1.261 . . . . 6.0 113.497 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.46 147.96 51.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.691 1.196 . . . . 6.0 112.658 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -138.95 18.1 2.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.646 1.978 . . . . 6.0 112.03 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -87.93 -3.41 58.92 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.705 -1.247 . . . . 6.0 113.783 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.18 -93.08 0.01 OUTLIER Glycine 0 CA--C 1.535 1.324 0 C-N-CA 126.919 2.2 . . . . 6.0 115.404 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -114.44 6.07 15.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.065 1.746 . . . . 6.0 113.918 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -119.4 14.42 12.86 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.946 1.698 . . . . 6.0 112.808 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.5 t -59.18 146.31 39.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.804 1.242 . . . . 6.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -83.87 -15.53 47.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.975 1.31 . . . . 6.0 112.338 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 74.2 t -86.41 106.72 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.001 -1.481 . . . . 6.0 107.001 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.38 -34.69 11.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.227 1.936 . . . . 6.0 116.227 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -90.01 -24.25 21.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.656 1.354 . . . . 6.0 114.656 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 23.2 t -58.48 -67.37 0.36 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.321 1.449 . . . . 6.0 113.328 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.41 67.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.724 0.639 . . . . 6.0 112.724 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.574 ' HA ' HD22 ' B' ' 798' ' ' LEU . 63.0 m -67.13 -48.08 69.17 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.178 -0.327 . . . . 6.0 111.682 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -59.66 -47.07 87.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.601 1.16 . . . . 6.0 111.904 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -50.14 -37.88 36.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.295 1.838 . . . . 6.0 112.413 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -83.36 -43.26 16.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.415 1.086 . . . . 6.0 112.377 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.75 -39.11 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 120.962 -1.086 . . . . 6.0 113.515 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.355 1.462 . . . . 6.0 110.768 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.4 m -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.524 1.305 . . . . 6.0 114.524 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -68.1 -59.86 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.261 0.937 . . . . 6.0 110.898 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -57.72 -33.95 68.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.75 1.22 . . . . 6.0 113.31 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -63.0 -13.48 35.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.776 1.231 . . . . 6.0 114.052 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -133.92 -30.85 1.19 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.377 1.992 . . . . 6.0 116.377 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.42 136.98 57.98 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.855 1.207 . . . . 6.0 114.02 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 14.4 t -138.49 10.21 2.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.908 1.683 . . . . 6.0 113.18 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -67.29 118.89 11.28 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.262 1.425 . . . . 6.0 110.16 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -63.88 -8.94 12.54 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.006 1.854 . . . . 6.0 116.006 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -129.75 19.75 5.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.309 1.444 . . . . 6.0 113.067 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 52.7 t -54.24 124.31 46.0 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.411 -0.959 . . . . 6.0 108.411 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.78 -28.07 59.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.007 1.805 . . . . 6.0 112.327 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.97 -46.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 117.897 -1.049 . . . . 6.0 110.711 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 85.4 m -74.08 -29.6 61.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 121.072 1.76 . . . . 6.0 114.922 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.1 tp -40.87 -53.37 6.11 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-N 122.179 2.263 . . . . 6.0 115.318 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -59.44 -35.51 96.02 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-N 121.813 1.683 . . . . 6.0 112.879 176.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.39 -42.01 62.66 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.082 1.31 . . . . 6.0 111.861 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.219 -1.03 . . . . 6.0 108.219 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -65.82 -45.39 82.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.882 1.273 . . . . 6.0 111.666 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.9 -19.14 4.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.537 1.935 . . . . 6.0 113.127 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.2 OUTLIER -131.62 32.67 4.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.949 1.299 . . . . 6.0 113.865 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.29 -25.72 0.78 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.681 1.592 . . . . 6.0 112.32 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.16 -25.1 63.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.857 1.263 . . . . 6.0 113.93 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 126.841 2.056 . . . . 6.0 111.427 177.546 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 N-CA-C 114.796 0.678 . . . . 6.0 114.796 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 69.7 p -69.15 -15.96 63.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.358 1.463 . . . . 6.0 114.485 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -150.67 160.79 43.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.849 1.659 . . . . 6.0 111.079 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 96.9 mmm -76.43 52.93 0.81 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.292 1.837 . . . . 6.0 112.426 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.5 146.56 63.8 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 125.246 1.418 . . . . 6.0 113.24 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -76.05 177.34 8.87 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.492 2.794 . . . . 6.0 112.49 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.3 72.63 72.18 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.38 1.872 . . . . 6.0 112.876 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -51.98 159.21 4.05 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 123.545 2.83 . . . . 6.0 112.232 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.38 107.43 0.57 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.445 1.498 . . . . 6.0 113.615 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.69 122.77 35.0 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.468 1.907 . . . . 6.0 110.813 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -51.52 124.06 13.5 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.475 2.783 . . . . 6.0 113.041 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -50.85 -37.39 42.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.588 1.329 . . . . 6.0 114.588 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.37 -26.84 66.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.781 0.833 . . . . 6.0 112.679 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.07 -28.04 19.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.809 1.243 . . . . 6.0 112.703 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -55.15 -38.28 68.05 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.855 1.207 . . . . 6.0 112.147 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.83 -11.38 60.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.061 1.344 . . . . 6.0 114.402 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.0 mt -69.52 139.97 53.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.786 1.176 . . . . 6.0 112.096 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -74.23 101.22 3.93 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.769 0.827 . . . . 6.0 109.973 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.1 p -86.95 -9.56 55.34 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.92 1.288 . . . . 6.0 113.891 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.24 -45.76 99.21 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.986 1.266 . . . . 6.0 114.219 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.22 -23.82 20.63 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 CA-C-N 121.835 1.691 . . . . 6.0 110.941 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 28.6 mtt -66.25 -16.87 64.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.225 1.01 . . . . 6.0 112.957 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.93 -22.05 3.55 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -70.01 -27.64 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.047 0.84 . . . . 6.0 112.517 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.33 -12.6 54.3 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.898 1.679 . . . . 6.0 113.987 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -47.22 -22.1 0.35 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 117.85 2.537 . . . . 6.0 117.85 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.41 32.84 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.044 1.737 . . . . 6.0 111.832 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 7.4 m -129.06 20.32 5.88 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.499 1.666 . . . . 6.0 115.499 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.0 t -143.62 152.91 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.949 0.9 . . . . 6.0 112.642 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -119.55 84.01 2.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.031 2.132 . . . . 6.0 108.372 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -46.55 -40.83 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.896 1.678 . . . . 6.0 112.962 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 51.0 mt-10 -88.01 -19.91 26.54 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.536 1.68 . . . . 6.0 115.536 -178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -96.57 -25.09 15.74 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.746 1.387 . . . . 6.0 114.746 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -44.13 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.944 1.297 . . . . 6.0 111.518 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 26.4 tpp -59.44 143.26 86.04 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.798 2.039 . . . . 6.0 114.297 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -66.26 -8.97 22.05 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.393 2.729 . . . . 6.0 114.04 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 30.7 t-20 52.06 85.02 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.031 2.932 . . . . 6.0 116.818 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -161.66 -43.45 0.02 OUTLIER Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.013 0.765 . . . . 6.0 115.013 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -156.65 139.33 10.62 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.661 1.585 . . . . 6.0 111.044 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -83.58 -39.75 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 122.404 2.069 . . . . 6.0 112.891 176.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.28 -19.09 64.27 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.922 1.289 . . . . 6.0 113.218 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.268 0.0 OUTLIER -57.26 -15.41 5.98 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.757 2.823 . . . . 6.0 111.462 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -48.19 -28.45 3.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.073 1.749 . . . . 6.0 113.998 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -43.5 -39.42 4.44 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.859 1.695 . . . . 6.0 115.095 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -131.07 -10.75 3.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.76 1.224 . . . . 6.0 114.157 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -71.23 -15.53 62.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.173 1.175 . . . . 6.0 114.173 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.5 t -148.7 172.33 14.76 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.366 1.067 . . . . 6.0 112.943 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 2.4 t -20.78 104.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 130.825 3.65 . . . . 6.0 113.391 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -85.72 171.47 11.59 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 117.765 2.506 . . . . 6.0 117.765 -170.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -53.02 -41.36 64.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.626 1.971 . . . . 6.0 111.976 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 31.5 m -77.33 -0.86 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.108 1.763 . . . . 6.0 113.095 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.08 -41.63 5.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.041 2.137 . . . . 6.0 112.409 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 4.8 m -79.86 57.13 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.967 1.307 . . . . 6.0 110.17 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 28.8 m -54.89 144.35 23.12 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.13 1.372 . . . . 6.0 112.672 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.22 172.06 5.79 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.395 1.878 . . . . 6.0 110.569 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.49 161.57 45.03 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.155 1.904 . . . . 6.0 112.978 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 125.013 1.325 . . . . 6.0 112.348 179.534 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 113.626 0.972 . . . . 6.0 113.626 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.2 t -145.82 -25.13 0.46 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.462 1.505 . . . . 6.0 113.658 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -164.61 54.37 0.27 Allowed Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.82 1.2 . . . . 6.0 113.773 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -65.02 -14.57 45.99 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.571 2.847 . . . . 6.0 114.466 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.8 p -73.64 -18.44 61.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.144 1.378 . . . . 6.0 113.584 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -75.03 146.43 41.58 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.05 1.34 . . . . 6.0 113.371 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -156.75 104.49 1.96 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.287 1.435 . . . . 6.0 109.078 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.79 -38.89 85.55 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.904 3.069 . . . . 6.0 115.302 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.21 -45.39 60.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.287 -0.883 . . . . 6.0 111.591 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -62.91 -45.75 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.743 -0.598 . . . . 6.0 109.932 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -50.29 -49.35 53.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.57 1.548 . . . . 6.0 110.859 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -57.54 -31.68 66.34 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.306 1.043 . . . . 6.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.57 -51.2 15.24 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.969 -1.015 . . . . 6.0 112.51 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -37.46 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.647 1.112 . . . . 6.0 110.539 174.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -55.8 -49.99 71.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.83 1.196 . . . . 6.0 112.095 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.3 -40.9 70.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 117.809 -1.091 . . . . 6.0 113.163 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -62.51 -43.28 99.19 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.532 1.514 . . . . 6.0 110.33 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.47 -57.63 11.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.759 0.824 . . . . 6.0 110.353 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 30.4 t -58.27 -40.02 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.469 0.914 . . . . 6.0 113.469 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 381' ' ' LEU . 11.4 mt -58.83 -36.82 75.16 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.736 0.698 . . . . 6.0 112.14 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.09 -43.77 73.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.774 0.715 . . . . 6.0 110.494 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.86 -41.54 70.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.073 0.549 . . . . 6.0 110.869 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.38 -59.53 2.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.158 0.583 . . . . 6.0 111.092 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.11 -37.95 49.01 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.5 1.296 . . . . 6.0 114.5 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -59.81 -59.04 6.07 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.116 0.871 . . . . 6.0 111.468 176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -65.1 -30.36 71.29 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.54 -0.725 . . . . 6.0 112.678 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . 0.426 ' SG ' ' NH1' ' A' ' 369' ' ' ARG . 8.7 t -64.67 -43.8 92.4 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.971 0.908 . . . . 6.0 110.571 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.6 -31.71 71.79 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.886 -1.134 . . . . 6.0 110.795 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -71.87 -44.93 62.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.835 -1.166 . . . . 6.0 111.413 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.426 ' NH1' ' SG ' ' A' ' 366' ' ' CYS . 13.7 ptt-85 -64.27 -31.18 72.28 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.917 1.235 . . . . 6.0 112.744 177.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -53.84 -32.83 54.27 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.158 1.383 . . . . 6.0 112.157 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.0 -23.84 55.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -67.03 -15.41 63.71 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.016 0.926 . . . . 6.0 113.391 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -128.76 9.45 5.9 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.624 1.97 . . . . 6.0 112.102 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 77.0 -61.17 3.42 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.289 1.899 . . . . 6.0 113.169 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -147.69 128.14 14.03 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.904 1.682 . . . . 6.0 110.859 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 5.0 p -164.27 129.93 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.605 1.562 . . . . 6.0 110.806 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -125.68 17.85 8.06 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.598 1.559 . . . . 6.0 112.151 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -64.59 -59.87 3.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.759 1.224 . . . . 6.0 111.704 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.1 t 36.33 -146.8 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 128.275 2.63 . . . . 6.0 114.913 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.6 m -142.41 -19.84 0.69 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.302 2.241 . . . . 6.0 113.344 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER -79.22 125.12 83.96 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 119.473 1.033 . . . . 6.0 112.413 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.4 Cg_exo -45.43 -30.17 5.48 Favored 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 125.861 4.374 . . . . 6.0 117.682 177.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.74 20.91 6.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.239 1.416 . . . . 6.0 113.727 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.35 -49.35 69.96 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.335 -0.853 . . . . 6.0 111.185 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -35.32 80.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.041 0.936 . . . . 6.0 112.76 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -60.49 -50.96 71.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.667 1.187 . . . . 6.0 109.087 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.48 80.96 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.391 1.076 . . . . 6.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -56.4 -41.79 76.89 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.814 1.188 . . . . 6.0 111.926 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -63.74 -43.97 94.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.363 0.665 . . . . 6.0 111.514 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.91 -41.38 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.153 0.981 . . . . 6.0 111.217 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.7 -46.95 77.08 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.918 1.687 . . . . 6.0 112.416 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.64 -44.41 97.02 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.977 -0.452 . . . . 6.0 110.134 174.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -56.18 -54.48 44.75 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.451 0.569 . . . . 6.0 110.121 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 58.8 mtp -49.94 -37.37 31.65 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.437 1.895 . . . . 6.0 113.391 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 26.8 m -71.45 -26.65 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.354 1.062 . . . . 6.0 113.309 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -100.65 -19.38 16.11 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.558 1.143 . . . . 6.0 112.448 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.71 162.27 13.57 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.022 2.129 . . . . 6.0 111.677 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -143.43 0.84 1.17 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.401 1.88 . . . . 6.0 113.691 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.86 0.99 37.03 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.04 -140.53 38.79 Favored Glycine 0 CA--C 1.537 1.422 0 O-C-N 121.065 -1.022 . . . . 6.0 114.21 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -73.24 16.01 0.2 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.284 1.434 . . . . 6.0 114.531 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -134.0 14.76 3.91 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.04 1.496 . . . . 6.0 115.04 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.9 t -57.05 151.75 14.52 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.599 1.159 . . . . 6.0 114.029 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -72.11 -24.38 61.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.37 1.468 . . . . 6.0 112.398 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 77.0 t -78.69 113.62 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.426 -0.953 . . . . 6.0 108.426 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.27 48.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -84.18 -19.78 33.48 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.892 1.071 . . . . 6.0 113.892 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 21.7 t -66.6 -66.61 0.53 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.103 1.32 . . . . 6.0 111.529 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.7 -36.2 64.43 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.42 0.896 . . . . 6.0 113.42 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.476 ' HA ' HD22 ' B' ' 798' ' ' LEU . 18.7 p -70.14 -52.88 20.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 117.827 0.285 . . . . 6.0 111.339 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 75.3 m -53.14 -44.43 67.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.505 1.122 . . . . 6.0 112.342 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -52.79 -37.71 60.12 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.928 1.691 . . . . 6.0 112.579 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -84.12 -42.7 15.77 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.516 1.526 . . . . 6.0 112.35 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.24 -40.85 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.528 1.131 . . . . 6.0 113.289 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' B' ' 829' ' ' VAL . 69.8 mt -61.46 -45.35 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.606 1.562 . . . . 6.0 110.11 177.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.1 m -58.45 -26.93 63.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.407 1.262 . . . . 6.0 114.407 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -69.26 -55.77 9.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.678 1.126 . . . . 6.0 110.798 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 49.0 t-105 -59.61 -31.84 69.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.605 1.162 . . . . 6.0 112.56 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -64.39 -14.16 55.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.478 1.511 . . . . 6.0 114.368 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -132.62 -29.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.291 1.96 . . . . 6.0 116.291 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 15.0 t -66.95 143.49 56.78 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.912 1.233 . . . . 6.0 113.638 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.4 p -136.98 -6.68 1.85 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.368 1.867 . . . . 6.0 113.418 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.67 117.24 6.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.904 1.682 . . . . 6.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -66.52 -8.91 29.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.543 1.683 . . . . 6.0 115.543 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -125.41 15.09 8.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.88 1.272 . . . . 6.0 113.475 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.61 126.48 70.63 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 106.887 -1.523 . . . . 6.0 106.887 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.03 -36.4 38.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.063 1.842 . . . . 6.0 112.698 -173.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 85.8 t -80.74 -47.73 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 118.414 -0.803 . . . . 6.0 110.446 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.519 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 97.6 m -70.78 -29.7 65.98 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.0 tp -42.3 -53.81 8.47 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 121.053 1.751 . . . . 6.0 114.97 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.41 -34.91 97.44 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 CA-C-N 122.172 1.811 . . . . 6.0 113.159 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.38 -41.94 65.77 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.482 1.492 . . . . 6.0 111.574 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.519 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 40.5 mttt -61.59 -40.89 96.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.714 1.206 . . . . 6.0 108.461 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.24 -41.4 81.22 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.516 1.126 . . . . 6.0 111.425 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -57.59 -24.87 58.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.218 1.807 . . . . 6.0 113.358 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 40.7 p -112.75 -24.5 9.57 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.338 1.607 . . . . 6.0 115.338 -176.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.04 -7.61 30.74 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.742 1.217 . . . . 6.0 113.776 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -53.85 -26.6 25.33 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.954 1.702 . . . . 6.0 114.79 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 125.48 1.512 . . . . 6.0 112.202 179.165 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.784 0.674 . . . . 6.0 114.784 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 67.0 p -69.08 -16.24 63.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.411 1.484 . . . . 6.0 114.595 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -151.8 159.67 43.83 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.777 1.631 . . . . 6.0 111.278 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 55.2 ttp -150.91 142.82 23.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.836 1.654 . . . . 6.0 109.874 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 29.9 m -62.31 140.33 96.37 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.253 0.621 . . . . 6.0 112.095 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.3 99.72 1.29 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.192 2.594 . . . . 6.0 111.049 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -145.97 108.34 4.31 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 6.0 111.925 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 158.89 11.7 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.195 2.597 . . . . 6.0 113.481 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.46 109.12 1.08 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.687 1.995 . . . . 6.0 114.177 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.45 123.46 43.62 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.397 1.479 . . . . 6.0 110.775 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.11 121.39 9.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.045 2.497 . . . . 6.0 111.801 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.57 -33.67 64.08 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.37 -27.43 69.31 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.615 -0.678 . . . . 6.0 112.178 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.11 -26.91 19.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.732 1.213 . . . . 6.0 111.702 172.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -58.82 -35.37 72.76 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.245 1.384 . . . . 6.0 110.835 174.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -64.69 -21.22 66.69 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.131 1.373 . . . . 6.0 114.147 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 410' ' ' SER . 43.7 mt -69.01 133.69 48.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.137 0.881 . . . . 6.0 111.688 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -72.5 105.85 4.34 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.225 0.61 . . . . 6.0 109.434 175.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -85.76 -8.9 57.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.073 1.349 . . . . 6.0 114.35 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.17 -46.77 99.27 Favored Pre-proline 0 N--CA 1.478 0.938 0 CA-C-N 120.701 1.591 . . . . 6.0 113.668 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.4 -32.5 81.02 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.287 1.992 . . . . 6.0 112.344 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 39.1 mtt -64.88 -16.89 63.77 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.622 1.169 . . . . 6.0 113.655 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.12 -22.2 3.98 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.425 1.268 . . . . 6.0 114.425 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.78 -28.47 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 118.914 0.779 . . . . 6.0 112.44 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.35 -12.81 48.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.067 1.747 . . . . 6.0 114.383 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -47.44 -25.57 1.1 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 117.953 2.575 . . . . 6.0 117.953 -172.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.48 33.57 1.3 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.616 1.567 . . . . 6.0 111.793 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 5.0 m -126.41 20.93 7.3 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.79 156.95 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.593 1.157 . . . . 6.0 111.589 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -122.3 85.06 2.35 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.631 1.972 . . . . 6.0 107.995 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -47.54 -40.24 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.242 1.417 . . . . 6.0 112.663 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 32.6 mt-10 -87.58 -19.93 27.13 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.12 1.896 . . . . 6.0 116.12 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -93.36 -25.09 17.86 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -42.54 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.704 1.202 . . . . 6.0 112.191 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 24.7 tpp -58.58 143.09 82.11 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 126.05 1.74 . . . . 6.0 114.154 -174.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -68.84 10.27 0.38 Allowed 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 123.899 3.066 . . . . 6.0 114.674 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . 0.255 0.7 OUTLIER 48.04 28.03 1.36 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.483 2.713 . . . . 6.0 117.326 177.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -102.59 -58.21 0.77 Allowed Glycine 0 CA--C 1.533 1.216 0 N-CA-C 115.067 0.787 . . . . 6.0 115.067 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -160.12 147.83 12.89 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 118.564 1.182 . . . . 6.0 112.666 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.56 -36.56 0.61 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 121.921 1.748 . . . . 6.0 111.998 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.74 -18.84 65.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.25 1.42 . . . . 6.0 113.098 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . 0.49 HD22 ' O ' ' B' ' 823' ' ' LEU 0.274 0.0 OUTLIER -65.52 0.06 1.75 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.192 2.997 . . . . 6.0 112.077 175.087 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.19 -26.98 1.3 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.465 1.906 . . . . 6.0 114.231 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -61.41 -23.72 62.81 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.466 1.508 . . . . 6.0 114.657 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -126.32 -14.63 5.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.911 1.685 . . . . 6.0 113.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -64.8 -24.56 67.59 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.458 1.503 . . . . 6.0 113.17 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 15.3 t -149.51 -162.4 1.55 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.172 1.789 . . . . 6.0 110.81 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 415' ' ' ILE . 5.2 m -43.55 157.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 129.048 2.939 . . . . 6.0 117.29 -177.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -144.77 -170.25 3.36 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.536 1.535 . . . . 6.0 112.687 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.88 -21.31 0.4 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 117.283 2.327 . . . . 6.0 117.283 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.6 p -82.71 -25.98 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.756 1.222 . . . . 6.0 112.879 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.3 -41.18 25.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.1 1.76 . . . . 6.0 113.64 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.63 129.16 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 122.177 0.989 . . . . 6.0 111.783 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 31.7 p -70.67 1.59 5.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.22 2.304 . . . . 6.0 117.22 -175.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 44.83 54.61 13.02 Favored Pre-proline 0 N--CA 1.483 1.214 0 C-N-CA 126.217 1.807 . . . . 6.0 113.905 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.25 -14.9 31.66 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.191 3.261 . . . . 6.0 114.911 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 125.695 1.598 . . . . 6.0 113.512 -179.501 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.713 1.005 . . . . 6.0 113.713 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 37.3 p -72.64 -20.85 61.19 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.438 1.495 . . . . 6.0 114.036 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -175.37 53.46 0.13 Allowed Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.717 1.151 . . . . 6.0 114.561 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -61.47 -25.3 79.58 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.119 2.546 . . . . 6.0 113.498 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 31.3 p -67.12 -11.33 56.95 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.391 1.477 . . . . 6.0 113.735 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -131.88 9.52 4.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.122 1.769 . . . . 6.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -43.02 106.6 0.49 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.86 1.664 . . . . 6.0 113.447 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -53.87 -38.17 85.65 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.783 2.989 . . . . 6.0 115.053 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -69.85 -44.25 70.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 6.0 111.85 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' B' ' 800' ' ' THR . 86.8 tttt -65.04 -46.51 80.96 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.354 -0.841 . . . . 6.0 110.3 174.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -52.78 -45.7 67.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.348 1.459 . . . . 6.0 110.082 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.6 -43.12 99.45 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.796 1.238 . . . . 6.0 111.805 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.55 -48.39 81.82 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.756 1.391 . . . . 6.0 114.756 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -38.84 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.558 1.526 . . . . 6.0 110.634 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -57.8 -45.51 85.98 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.195 0.907 . . . . 6.0 112.127 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.68 -48.19 78.15 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.309 1.044 . . . . 6.0 111.736 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.41 -44.15 92.16 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.665 1.12 . . . . 6.0 111.143 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.23 -52.4 59.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.875 0.87 . . . . 6.0 110.687 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.45 HG21 HG23 ' B' ' 812' ' ' ILE . 21.2 t -65.59 -38.9 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.706 0.632 . . . . 6.0 112.706 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -39.29 85.9 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.374 0.988 . . . . 6.0 111.619 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.76 -45.4 82.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.821 0.737 . . . . 6.0 110.284 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.25 -46.07 79.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.948 0.499 . . . . 6.0 110.999 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.32 -57.72 11.56 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 122.745 0.418 . . . . 6.0 109.986 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.03 -33.33 67.09 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.986 1.106 . . . . 6.0 113.986 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -64.61 -54.75 26.97 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.685 1.129 . . . . 6.0 109.591 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -43.37 66.56 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.582 1.153 . . . . 6.0 111.047 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.86 -38.16 73.12 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.405 0.682 . . . . 6.0 111.275 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.95 -35.9 81.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.304 1.042 . . . . 6.0 110.229 173.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.73 -39.19 70.77 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.933 0.788 . . . . 6.0 111.093 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -59.96 -50.55 73.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.232 0.924 . . . . 6.0 111.239 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.82 -37.72 86.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.815 1.246 . . . . 6.0 112.65 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -72.57 -41.27 65.9 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.543 0.737 . . . . 6.0 112.122 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.05 80.41 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.572 0.749 . . . . 6.0 112.097 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . 0.286 0.0 OUTLIER 57.97 175.6 0.06 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.664 2.785 . . . . 6.0 115.948 179.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 92.82 -20.73 43.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.093 1.33 . . . . 6.0 115.182 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.72 16.63 4.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.554 1.542 . . . . 6.0 112.768 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.98 135.13 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.964 1.305 . . . . 6.0 111.086 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -149.47 35.54 0.72 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.926 1.29 . . . . 6.0 112.708 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . 59.74 -169.1 0.15 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.452 1.901 . . . . 6.0 113.214 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 6.1 t -141.98 177.12 8.42 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.618 1.567 . . . . 6.0 111.731 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.6 m -141.51 -5.63 1.06 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.03 122.21 81.61 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 119.966 1.257 . . . . 6.0 109.615 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -34.4 -36.05 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.856 1 C-N-CA 126.334 4.689 . . . . 6.0 121.578 -174.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -129.97 22.32 5.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.004 1.275 . . . . 6.0 114.096 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 7.7 t -51.28 -53.25 37.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.89 1.276 . . . . 6.0 111.385 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -35.41 74.93 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.613 1.165 . . . . 6.0 113.149 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 91.1 m -66.03 -50.9 62.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.818 0.847 . . . . 6.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 26.1 mmt -63.43 -42.63 98.7 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 123.427 0.691 . . . . 6.0 111.264 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.23 -42.34 81.22 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.644 1.111 . . . . 6.0 111.676 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -63.8 -43.49 96.12 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.985 0.514 . . . . 6.0 111.517 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.97 -41.43 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.991 0.916 . . . . 6.0 111.46 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.18 -46.22 71.28 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.684 1.594 . . . . 6.0 111.344 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -60.98 -41.35 96.25 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.773 -0.58 . . . . 6.0 110.067 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.94 -50.67 72.84 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.064 0.847 . . . . 6.0 110.439 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 61.8 mtp -52.93 -35.72 58.81 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.471 1.508 . . . . 6.0 112.088 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.0 m -71.73 -0.75 11.75 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.013 1.325 . . . . 6.0 113.843 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -130.02 -22.79 2.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.613 1.565 . . . . 6.0 112.581 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.08 160.64 17.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.32 1.848 . . . . 6.0 112.864 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -141.33 1.4 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.727 2.011 . . . . 6.0 113.561 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.42 0.58 32.71 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.008 1.855 . . . . 6.0 116.008 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.43 -142.51 36.52 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.09 -1.006 . . . . 6.0 114.159 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.09 19.97 0.14 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.22 1.408 . . . . 6.0 113.861 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -135.13 13.8 3.56 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.735 1.614 . . . . 6.0 114.79 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.9 t -56.23 152.03 11.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 6.0 114.434 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.62 -24.68 62.78 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.907 1.283 . . . . 6.0 111.782 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t -82.82 110.8 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.364 -1.347 . . . . 6.0 107.364 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.43 58.24 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.731 1.382 . . . . 6.0 114.731 -175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -74.74 -32.22 62.04 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.988 -1.006 . . . . 6.0 113.65 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 36.6 t -58.5 -64.24 0.99 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.273 1.429 . . . . 6.0 112.68 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.85 80.46 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.676 -0.64 . . . . 6.0 112.605 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 49.2 m -63.87 -47.97 78.56 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.622 0.369 . . . . 6.0 110.912 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 68.4 m -59.7 -46.18 89.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.354 1.462 . . . . 6.0 111.637 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -52.72 -42.62 65.03 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.926 0.891 . . . . 6.0 111.885 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -74.09 -44.18 54.95 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.524 0.73 . . . . 6.0 112.29 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.06 -43.23 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.526 1.131 . . . . 6.0 113.701 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.1 mt -55.17 -48.66 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.89 1.676 . . . . 6.0 110.761 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.3 m -57.47 -23.09 47.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.111 1.523 . . . . 6.0 115.111 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.25 -58.1 4.15 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.899 1.227 . . . . 6.0 110.734 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -61.44 -28.8 69.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.802 0.841 . . . . 6.0 112.561 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -63.78 -19.99 65.42 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.543 1.312 . . . . 6.0 114.543 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.54 -28.76 2.48 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.829 1.789 . . . . 6.0 115.829 -173.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.424 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 8.4 t -67.94 149.59 49.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.481 1.037 . . . . 6.0 112.792 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 63.2 p -139.87 -24.87 0.82 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.843 1.423 . . . . 6.0 114.843 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.71 119.85 7.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.831 1.196 . . . . 6.0 112.905 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -63.01 -6.83 4.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.698 1.999 . . . . 6.0 116.093 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.95 7.35 13.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.845 1.658 . . . . 6.0 113.522 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.8 t -48.77 126.46 13.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.856 1.662 . . . . 6.0 113.133 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -52.7 -23.0 18.79 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.637 2.891 . . . . 6.0 116.122 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 8.8 t -116.17 -44.95 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 116.682 -1.628 . . . . 6.0 110.994 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.505 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 36.9 m -69.89 -23.31 63.23 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.726 2.057 . . . . 6.0 114.375 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.9 tp -39.28 -56.62 2.61 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 121.625 2.011 . . . . 6.0 114.458 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -58.61 -33.98 98.56 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.152 1.901 . . . . 6.0 114.008 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.6 mp -74.04 -42.62 59.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.016 1.735 . . . . 6.0 111.18 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.505 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 43.3 mttt -60.96 -37.14 81.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.758 1.223 . . . . 6.0 108.952 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.89 -49.71 49.52 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.085 1.354 . . . . 6.0 110.362 172.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.548 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -47.96 -27.03 1.98 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.007 2.123 . . . . 6.0 114.629 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 0.1 OUTLIER -121.93 22.95 10.22 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.671 1.188 . . . . 6.0 114.104 -179.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -145.98 38.11 1.08 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.796 1.238 . . . . 6.0 112.109 176.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -65.13 -5.81 7.6 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.14 1.376 . . . . 6.0 114.318 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 127.948 2.499 . . . . 6.0 112.841 179.041 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.543 0 N-CA-C 114.787 0.675 . . . . 6.0 114.787 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 46.1 m -132.74 12.1 4.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.93 1.692 . . . . 6.0 113.401 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -151.93 170.04 20.82 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.743 1.617 . . . . 6.0 111.976 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 57.8 ttp -65.67 155.21 36.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.511 1.125 . . . . 6.0 111.397 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.4 149.75 73.22 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 125.597 1.559 . . . . 6.0 110.791 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.66 8.89 1.11 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.945 3.097 . . . . 6.0 118.121 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.19 104.49 3.81 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.581 1.552 . . . . 6.0 113.445 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -66.24 159.73 48.49 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.955 3.103 . . . . 6.0 109.432 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -78.8 106.81 11.06 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.966 -1.084 . . . . 6.0 113.665 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 3.4 tt -27.99 129.61 0.21 Allowed Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 131.247 3.819 . . . . 6.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -54.86 128.17 29.33 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.409 2.073 . . . . 6.0 113.562 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -47.8 -42.14 25.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.241 1.816 . . . . 6.0 115.141 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.24 -28.22 68.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.331 -0.856 . . . . 6.0 113.04 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 37.2 mt -89.36 -20.1 24.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.193 0.997 . . . . 6.0 112.618 175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.86 -34.12 67.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 120.504 1.502 . . . . 6.0 111.442 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -68.58 -17.19 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.227 1.811 . . . . 6.0 114.093 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.51 116.42 16.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.303 0.956 . . . . 6.0 109.848 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.52 115.38 10.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.803 -0.814 . . . . 6.0 108.803 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 349' ' ' LYS . 22.5 p -81.1 -5.28 57.47 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.148 1.907 . . . . 6.0 116.148 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -53.46 -44.81 98.34 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-N 120.459 1.481 . . . . 6.0 114.175 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -63.29 -37.57 49.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.436 2.091 . . . . 6.0 111.578 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -17.12 62.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.401 1.08 . . . . 6.0 113.512 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -54.37 -22.93 13.61 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.401 1.455 . . . . 6.0 114.42 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.38 -26.48 40.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 119.411 1.005 . . . . 6.0 111.924 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -89.9 -10.02 46.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.99 2.116 . . . . 6.0 113.932 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -46.05 -24.17 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 118.092 2.627 . . . . 6.0 118.092 -171.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 32.37 1.52 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.361 1.464 . . . . 6.0 112.36 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 8.4 m -128.82 18.94 6.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.048 1.87 . . . . 6.0 116.048 -172.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.9 150.2 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.919 0.781 . . . . 6.0 112.452 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -116.73 86.43 2.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.826 2.05 . . . . 6.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 358' ' ' VAL . 1.5 mt -47.45 -36.91 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.724 1.21 . . . . 6.0 112.617 -176.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 40.1 mt-10 -90.32 -19.95 23.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.643 2.09 . . . . 6.0 116.643 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.58 -16.49 16.74 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 120.423 1.465 . . . . 6.0 114.871 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -41.81 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.299 1.04 . . . . 6.0 110.914 175.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 31.5 tpp -59.97 144.5 86.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.589 1.955 . . . . 6.0 114.944 -173.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.41 -4.38 3.21 Favored 'Trans proline' 0 CA--C 1.548 1.214 0 C-N-CA 123.883 3.056 . . . . 6.0 115.548 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.318 0.7 OUTLIER 47.91 58.83 4.67 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 128.057 2.543 . . . . 6.0 115.74 179.307 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -135.13 -51.94 0.07 OUTLIER Glycine 0 CA--C 1.536 1.348 0 N-CA-C 115.178 0.831 . . . . 6.0 115.178 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.04 150.34 18.8 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.681 1.592 . . . . 6.0 111.529 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.84 -31.17 1.98 Allowed 'Trans proline' 0 CA--C 1.551 1.33 0 CA-C-N 121.447 1.553 . . . . 6.0 110.988 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.44 -13.47 58.81 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.826 1.65 . . . . 6.0 112.907 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . 0.257 0.4 OUTLIER -52.68 -23.92 7.58 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 129.714 3.206 . . . . 6.0 111.65 175.021 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -47.76 -33.68 7.43 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.374 1.87 . . . . 6.0 112.941 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.63 -21.69 15.33 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.236 1.398 . . . . 6.0 115.297 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.31 -5.07 5.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.947 1.699 . . . . 6.0 113.327 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -118.31 18.7 13.64 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.241 1.416 . . . . 6.0 113.961 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 82.8 p -127.53 170.11 12.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.871 1.268 . . . . 6.0 111.17 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.82 -178.98 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.699 1.6 . . . . 6.0 114.217 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . 0.406 ' H ' ' HB2' ' B' ' 833' ' ' TYR . 25.1 t0 -143.52 177.27 8.58 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.221 1.193 . . . . 6.0 114.221 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.59 -33.35 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.507 -1.37 . . . . 6.0 112.416 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 4.2 p -76.34 0.32 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.94 1.696 . . . . 6.0 112.873 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . 0.406 ' HB2' ' H ' ' B' ' 830' ' ' ASP . 0.7 OUTLIER -112.44 -41.68 3.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.273 2.229 . . . . 6.0 113.739 -175.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.65 -9.98 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.815 1.246 . . . . 6.0 112.76 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 10.3 t -157.0 172.89 17.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.61 1.964 . . . . 6.0 111.03 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 154.75 47.1 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 126.02 1.728 . . . . 6.0 112.726 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.41 165.74 27.91 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.082 2.521 . . . . 6.0 113.102 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 125.507 1.523 . . . . 6.0 113.093 179.725 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.943 0 N-CA-C 112.587 0.588 . . . . 6.0 112.587 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.7 p -59.01 -22.64 60.99 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.621 1.712 . . . . 6.0 115.621 -177.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -157.99 179.59 33.58 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 119.494 1.043 . . . . 6.0 114.344 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.19 -14.66 34.98 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.873 3.048 . . . . 6.0 114.04 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.6 p -130.54 3.14 4.58 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.955 1.702 . . . . 6.0 114.555 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.04 37.2 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.862 1.21 . . . . 6.0 111.331 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -149.7 95.53 3.7 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.695 1.198 . . . . 6.0 110.451 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -50.84 -39.81 57.92 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.703 3.602 . . . . 6.0 114.905 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.42 -53.71 32.49 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.133 0.973 . . . . 6.0 111.164 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -40.62 93.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.719 0.808 . . . . 6.0 111.007 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -52.83 -50.35 63.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.052 1.741 . . . . 6.0 111.486 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -60.27 -34.47 73.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.717 0.807 . . . . 6.0 112.223 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' ' 807' ' ' ARG . 75.6 mt -67.2 -50.62 60.2 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.781 -1.104 . . . . 6.0 112.786 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.21 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 120.396 1.453 . . . . 6.0 110.79 174.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.57 -51.75 58.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.406 1.003 . . . . 6.0 112.282 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.5 -39.23 77.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.064 -0.97 . . . . 6.0 113.206 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.54 -44.88 89.41 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.527 1.512 . . . . 6.0 110.799 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.52 -53.34 55.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.824 0.85 . . . . 6.0 110.154 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.84 -38.01 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 113.246 0.832 . . . . 6.0 113.246 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.26 -39.77 91.57 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.487 1.04 . . . . 6.0 111.876 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.12 -44.99 94.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.898 0.772 . . . . 6.0 110.412 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.27 -45.28 88.18 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.559 0.744 . . . . 6.0 111.383 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.19 -57.67 11.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.346 0.521 . . . . 6.0 110.169 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.32 57.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.2 1.4 . . . . 6.0 114.069 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.8 -53.67 50.67 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.042 0.837 . . . . 6.0 110.919 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -60.39 -37.19 80.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.75 0.82 . . . . 6.0 111.575 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.6 -34.66 76.17 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.631 1.172 . . . . 6.0 111.541 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -69.33 -37.82 77.9 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.726 -1.234 . . . . 6.0 110.181 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -54.95 -22.93 16.69 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.05 0.94 . . . . 6.0 113.348 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -57.35 -30.13 64.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.389 0.995 . . . . 6.0 111.832 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.91 -24.93 65.26 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.967 -1.083 . . . . 6.0 112.584 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -89.92 -40.77 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.684 1.194 . . . . 6.0 110.839 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.85 -20.09 53.69 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -142.34 -48.45 0.35 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.953 1.301 . . . . 6.0 113.786 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 82.62 -175.68 53.41 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.795 0.712 . . . . 6.0 112.225 -174.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 52.66 27.95 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.036 1.734 . . . . 6.0 115.673 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.94 145.94 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.751 1.22 . . . . 6.0 110.512 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -130.87 -35.61 1.41 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.653 1.181 . . . . 6.0 113.801 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -156.9 -179.67 8.43 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.711 1.205 . . . . 6.0 112.807 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 34.2 t -132.95 -165.09 1.56 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.455 2.302 . . . . 6.0 110.21 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.9 t -129.68 -21.28 3.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.094 2.158 . . . . 6.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.27 125.07 91.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.121 0.968 . . . . 6.0 108.828 175.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.437 ' HB2' ' HB3' ' B' ' 809' ' ' SER . 91.4 Cg_exo -47.98 143.04 14.36 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.808 2.339 . . . . 6.0 113.675 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 58.67 8.76 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.687 2.106 . . . . 6.0 116.687 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 12.0 t -52.54 -45.18 66.24 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 120.768 1.622 . . . . 6.0 111.644 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -28.3 69.66 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 31.3 m -66.86 -48.54 68.52 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.101 1.36 . . . . 6.0 108.645 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -47.74 71.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 124.591 1.156 . . . . 6.0 111.664 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -53.32 -41.11 65.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.909 1.232 . . . . 6.0 112.099 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.22 -47.19 80.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.747 0.819 . . . . 6.0 111.769 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.06 -38.88 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.623 1.169 . . . . 6.0 111.843 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.4 -49.1 62.5 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 126.218 1.807 . . . . 6.0 112.451 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -59.75 -40.51 88.37 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 122.073 -0.392 . . . . 6.0 110.367 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.44 -53.72 54.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.446 0.698 . . . . 6.0 110.296 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.6 mtp -52.47 -34.98 51.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.961 1.704 . . . . 6.0 113.777 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 18.0 m -67.26 -16.04 64.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 6.0 113.296 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -118.84 -25.77 6.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.198 1.399 . . . . 6.0 112.487 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.487 ' HB3' HH22 ' A' ' 412' ' ' ARG . 40.9 t -64.3 143.67 57.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.29 1.436 . . . . 6.0 110.017 173.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.9 31.13 1.05 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.92 1.288 . . . . 6.0 112.064 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -64.14 -16.38 61.75 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.409 1.633 . . . . 6.0 115.409 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.26 55.02 5.34 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.069 0.85 . . . . 6.0 113.818 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp 56.56 35.66 26.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.728 1.611 . . . . 6.0 113.239 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -143.2 17.64 1.91 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.492 1.517 . . . . 6.0 113.624 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.91 158.7 18.46 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.441 1.496 . . . . 6.0 113.653 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -76.85 -21.8 54.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.438 1.495 . . . . 6.0 112.511 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.91 117.46 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.018 0.927 . . . . 6.0 108.818 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.97 56.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.322 1.971 . . . . 6.0 116.322 -174.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.91 -25.17 21.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.128 1.159 . . . . 6.0 114.128 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 7.5 t -56.56 -65.59 0.58 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.786 1.635 . . . . 6.0 113.6 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.41 75.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.014 0.525 . . . . 6.0 112.393 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.584 ' HA ' HD22 ' B' ' 798' ' ' LEU . 64.9 m -66.65 -47.26 73.11 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.229 -0.294 . . . . 6.0 111.522 177.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 67.5 m -58.31 -43.47 88.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.728 1.211 . . . . 6.0 112.22 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.487 HH22 ' HB3' ' A' ' 397' ' ' CYS . 0.6 OUTLIER -50.35 -43.35 54.06 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.577 1.551 . . . . 6.0 112.029 176.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -83.62 -40.91 18.43 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.872 1.269 . . . . 6.0 112.46 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 2.0 tt -57.09 -41.75 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.299 0.954 . . . . 6.0 112.065 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.23 -49.25 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.086 1.354 . . . . 6.0 109.838 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 51.8 m -56.92 -31.09 64.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.635 0.976 . . . . 6.0 113.635 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.82 -57.55 8.58 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.91 0.777 . . . . 6.0 110.618 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -55.98 -33.92 65.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.539 1.536 . . . . 6.0 112.874 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -67.48 -13.21 61.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.779 1.4 . . . . 6.0 114.779 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -132.13 -23.33 2.2 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.567 2.062 . . . . 6.0 116.567 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 11.0 t -62.77 148.25 47.38 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.152 1.342 . . . . 6.0 113.445 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.7 p -132.0 -14.67 3.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.63 1.572 . . . . 6.0 114.389 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -68.02 117.97 10.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.589 1.086 . . . . 6.0 110.779 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.0 -36.15 83.02 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 122.126 -0.359 . . . . 6.0 110.508 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.44 5.18 24.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.031 1.493 . . . . 6.0 115.031 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.84 125.45 39.09 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 107.392 -1.336 . . . . 6.0 107.392 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.22 -33.58 71.23 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.418 2.078 . . . . 6.0 112.28 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.35 -45.4 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 123.821 0.848 . . . . 6.0 111.169 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.494 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 96.3 m -73.94 -30.99 62.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.035 1.494 . . . . 6.0 115.035 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.6 tp -41.15 -52.9 6.92 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 120.898 1.681 . . . . 6.0 114.997 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -60.71 -34.84 91.42 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 122.089 1.782 . . . . 6.0 113.144 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.44 -40.9 66.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.341 1.428 . . . . 6.0 111.196 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.494 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 38.5 mttt -63.05 -31.45 72.6 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.131 1.372 . . . . 6.0 110.066 176.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.97 -47.48 44.98 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.677 1.191 . . . . 6.0 109.995 171.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -56.71 -21.31 27.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.024 1.73 . . . . 6.0 113.707 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 68.8 p -123.6 17.62 9.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.165 1.786 . . . . 6.0 113.433 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -65.42 126.88 29.65 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.954 1.302 . . . . 6.0 111.415 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -24.44 67.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.354 1.462 . . . . 6.0 113.416 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 127.412 2.285 . . . . 6.0 113.983 -179.793 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 N-CA-C 114.602 0.601 . . . . 6.0 114.602 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 77.9 p -74.18 -20.47 60.19 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.334 1.454 . . . . 6.0 114.742 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -146.55 6.86 0.96 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.418 1.487 . . . . 6.0 114.432 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -152.1 161.03 43.25 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.641 1.577 . . . . 6.0 111.55 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 28.8 m -78.57 157.3 77.43 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 123.916 0.886 . . . . 6.0 112.294 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.96 23.12 0.05 OUTLIER 'Trans proline' 0 CA--C 1.548 1.18 1 C-N-CA 125.543 4.162 . . . . 6.0 118.854 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -151.82 120.37 3.36 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.557 1.943 . . . . 6.0 110.726 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -55.29 160.25 8.92 Favored 'Trans proline' 0 CA--C 1.549 1.248 0 C-N-CA 122.922 2.415 . . . . 6.0 113.394 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.53 110.7 2.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.715 1.606 . . . . 6.0 114.184 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.48 121.28 59.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.111 1.764 . . . . 6.0 111.041 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.69 123.09 11.52 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.197 2.598 . . . . 6.0 112.773 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.55 -36.4 61.81 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.84 -25.2 67.1 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.014 0.925 . . . . 6.0 112.35 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.11 -28.62 18.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.664 1.186 . . . . 6.0 112.627 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -56.85 -37.87 71.88 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.024 1.284 . . . . 6.0 110.337 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -60.92 -27.78 68.44 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.753 2.021 . . . . 6.0 114.1 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.584 HD22 ' HA ' ' A' ' 410' ' ' SER . 30.3 mt -64.69 138.17 58.24 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.983 0.81 . . . . 6.0 112.884 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -75.36 103.41 5.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.642 0.777 . . . . 6.0 110.42 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.46 -7.42 56.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.027 1.331 . . . . 6.0 114.338 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.97 -46.81 99.5 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 120.209 1.368 . . . . 6.0 113.715 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.8 -22.37 23.76 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 121.593 1.605 . . . . 6.0 111.293 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 19.2 mtt -67.68 -17.14 64.48 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.441 1.096 . . . . 6.0 113.358 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.09 -22.67 2.57 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.724 1.379 . . . . 6.0 114.724 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 20.7 pt -67.14 -29.13 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 118.946 0.794 . . . . 6.0 112.77 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -81.53 -17.03 49.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.926 1.69 . . . . 6.0 114.707 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . 0.498 ' HB2' HD21 ' A' ' 352' ' ' LEU . 29.7 tpt85 -45.99 -18.4 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.879 2.871 . . . . 6.0 118.629 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.13 30.7 1.04 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.195 1.398 . . . . 6.0 111.972 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.9 m -131.31 10.33 4.86 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.857 2.169 . . . . 6.0 116.857 -170.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.8 127.11 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 114.288 1.218 . . . . 6.0 114.288 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -87.51 85.96 7.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.576 1.55 . . . . 6.0 109.855 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.412 HG21 HD13 ' B' ' 812' ' ' ILE . 1.6 mt -47.87 -38.04 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.94 1.296 . . . . 6.0 112.694 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 87.9 mt-10 -90.07 -19.68 24.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.906 1.817 . . . . 6.0 115.906 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.01 -16.58 16.42 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.167 1.543 . . . . 6.0 115.167 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.52 -44.39 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.406 1.082 . . . . 6.0 111.25 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 22.1 tpp -58.11 141.52 81.57 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.567 1.947 . . . . 6.0 114.993 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.51 4.9 2.66 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.021 3.147 . . . . 6.0 114.473 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.17 29.7 18.3 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.48 2.312 . . . . 6.0 116.286 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -77.43 -87.08 0.4 Allowed Glycine 0 CA--C 1.537 1.426 0 O-C-N 121.298 -0.876 . . . . 6.0 113.468 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -155.26 151.28 22.36 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.999 2.119 . . . . 6.0 109.463 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.66 -51.22 0.19 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.531 1.487 . . . . 6.0 114.25 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . 0.437 HD22 ' H ' ' B' ' 822' ' ' LEU . 2.6 mm? -61.66 -26.27 67.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 6.0 113.297 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -24.53 64.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.409 2.684 . . . . 6.0 111.771 177.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -59.96 -10.59 4.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.852 1.797 . . . . 6.0 115.852 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.7 55.51 Favored Glycine 0 CA--C 1.536 1.371 0 O-C-N 121.144 -0.973 . . . . 6.0 112.943 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -132.96 -9.94 3.03 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.0 -19.26 65.8 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.476 1.287 . . . . 6.0 114.476 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 10.0 t -154.88 155.79 34.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.691 1.596 . . . . 6.0 111.241 -174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 8.9 m 32.18 63.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 127.123 2.169 . . . . 6.0 113.959 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.09 168.6 0.97 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.181 1.919 . . . . 6.0 116.181 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -48.02 -43.16 29.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.132 1.373 . . . . 6.0 114.419 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.11 -30.54 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.917 0.887 . . . . 6.0 112.246 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.21 -26.67 66.72 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.567 1.947 . . . . 6.0 112.676 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.94 29.28 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.271 1.428 . . . . 6.0 112.936 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 82.6 p 47.72 36.75 5.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.606 2.362 . . . . 6.0 115.642 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -128.05 31.08 0.21 Allowed Pre-proline 0 CA--C 1.556 1.2 0 N-CA-C 115.668 1.729 . . . . 6.0 115.668 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.52 -13.7 27.57 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.974 2.449 . . . . 6.0 114.465 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 125.709 1.604 . . . . 6.0 111.737 -179.199 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.796 1.035 . . . . 6.0 113.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.7 t -159.97 176.62 11.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.023 1.729 . . . . 6.0 111.158 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.05 165.87 37.73 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.307 1.432 . . . . 6.0 112.686 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -62.65 148.61 93.13 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.11 2.54 . . . . 6.0 111.442 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 26.6 p 52.29 8.78 0.08 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 127.868 2.467 . . . . 6.0 116.498 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -143.46 19.94 1.87 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.243 1.817 . . . . 6.0 112.396 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.33 107.98 1.04 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 124.643 1.177 . . . . 6.0 112.553 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.45 -40.94 77.19 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.863 3.042 . . . . 6.0 115.489 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.15 -42.88 65.47 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.301 -0.874 . . . . 6.0 111.752 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.23 -45.62 92.51 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.85 -0.531 . . . . 6.0 109.722 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.48 -45.28 62.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.817 1.247 . . . . 6.0 110.032 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -64.09 -41.7 97.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.429 0.691 . . . . 6.0 112.141 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.22 -51.24 70.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.384 1.253 . . . . 6.0 114.384 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -42.06 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.318 1.417 . . . . 6.0 110.751 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.16 -47.66 74.83 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.353 0.978 . . . . 6.0 112.422 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -63.63 -46.84 83.86 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.323 -0.846 . . . . 6.0 111.788 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.12 -44.37 92.43 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.007 1.276 . . . . 6.0 110.851 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.4 -55.37 29.33 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.161 0.984 . . . . 6.0 110.13 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.421 HG21 HG23 ' B' ' 812' ' ' ILE . 20.3 t -62.14 -38.25 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 113.15 0.796 . . . . 6.0 113.15 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.39 -39.12 78.81 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.167 0.894 . . . . 6.0 111.616 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.51 -44.29 78.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.164 0.586 . . . . 6.0 110.741 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.8 -40.67 80.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.999 0.52 . . . . 6.0 111.176 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . 0.413 ' HB2' HG23 ' B' ' 815' ' ' ILE . 53.0 t60 -64.08 -60.56 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.004 0.522 . . . . 6.0 110.052 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.95 -37.05 60.71 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.803 1.241 . . . . 6.0 114.329 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -56.6 -59.12 5.46 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.111 0.964 . . . . 6.0 111.852 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.95 -32.31 69.16 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.455 -0.778 . . . . 6.0 112.538 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 7.1 t -62.53 -45.09 94.55 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.576 0.625 . . . . 6.0 110.973 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -56.84 -42.86 80.44 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.264 1.026 . . . . 6.0 111.507 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -57.22 -46.35 83.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 6.0 111.521 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -71.39 -43.73 66.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.918 0.887 . . . . 6.0 112.41 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.66 -42.11 87.65 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.375 1.47 . . . . 6.0 111.815 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.22 -38.34 75.22 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.859 0.864 . . . . 6.0 112.053 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -71.6 -29.28 64.51 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.705 1.002 . . . . 6.0 113.705 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.34 127.39 31.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.95 1.3 . . . . 6.0 112.185 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -62.48 -14.75 50.63 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.326 1.441 . . . . 6.0 116.607 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -135.0 26.18 3.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.214 1.806 . . . . 6.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . 0.267 4.9 p 57.66 -46.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.239 1 C-N-CA 131.779 4.032 . . . . 6.0 116.488 -177.396 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 35.84 59.37 0.87 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.401 2.68 . . . . 6.0 114.288 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -50.43 150.82 2.45 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.559 1.544 . . . . 6.0 114.862 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.83 -179.7 0.74 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.577 1.951 . . . . 6.0 116.263 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 68.7 m -136.23 -3.29 2.2 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.13 2.572 . . . . 6.0 114.402 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.19 127.0 85.48 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 120.392 1.451 . . . . 6.0 107.237 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -34.27 -33.26 0.07 OUTLIER 'Trans proline' 0 CA--C 1.543 0.954 1 C-N-CA 126.234 4.623 . . . . 6.0 121.587 -173.111 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -132.33 20.37 4.39 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.037 1.289 . . . . 6.0 113.5 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.9 t -49.57 -51.77 34.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.216 1.006 . . . . 6.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -34.06 74.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.101 0.96 . . . . 6.0 113.161 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.4 m -64.33 -50.65 66.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.752 1.221 . . . . 6.0 109.058 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -45.13 85.79 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.859 0.864 . . . . 6.0 111.287 177.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -55.1 -41.58 71.8 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.798 1.181 . . . . 6.0 111.991 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.02 -45.15 82.54 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.644 0.778 . . . . 6.0 112.004 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.4 -41.99 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.396 1.078 . . . . 6.0 111.561 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.8 -46.55 84.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.04 1.736 . . . . 6.0 111.717 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.22 -44.19 95.39 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.632 -0.667 . . . . 6.0 110.854 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -58.97 -50.03 75.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.408 0.683 . . . . 6.0 110.778 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 62.5 mtp -53.57 -34.22 57.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.149 1.78 . . . . 6.0 112.94 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 10.3 m -70.72 -1.93 12.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.535 1.134 . . . . 6.0 113.363 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -129.1 -29.56 2.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.48 1.512 . . . . 6.0 111.938 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.64 152.25 39.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.378 1.471 . . . . 6.0 112.552 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -141.68 11.34 2.06 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.126 1.77 . . . . 6.0 112.695 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.44 7.92 2.59 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.59 1.7 . . . . 6.0 115.59 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 53.71 -135.77 41.74 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.932 -1.105 . . . . 6.0 113.39 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -83.32 16.18 2.62 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.483 1.513 . . . . 6.0 113.662 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -128.55 14.8 6.54 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.866 1.432 . . . . 6.0 114.866 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 24.9 t -58.29 151.9 18.56 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.763 1.225 . . . . 6.0 113.899 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -70.27 -27.13 64.18 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.343 1.457 . . . . 6.0 111.475 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.4 t -83.48 109.75 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 108.12 -1.067 . . . . 6.0 108.12 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.59 -40.74 39.86 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.15 -22.39 36.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.185 1.18 . . . . 6.0 114.185 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.3 t -65.43 -63.38 1.11 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.28 1.4 . . . . 6.0 111.122 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.52 69.29 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.648 0.981 . . . . 6.0 113.648 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 19.3 p -68.21 -53.09 27.25 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 117.957 0.344 . . . . 6.0 111.046 176.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.9 m -52.74 -48.19 66.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.504 1.122 . . . . 6.0 112.355 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.23 -39.64 45.2 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.125 1.77 . . . . 6.0 112.364 177.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -81.97 -42.74 18.99 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.923 1.289 . . . . 6.0 112.634 173.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.47 -42.35 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.763 1.225 . . . . 6.0 113.261 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.493 HD13 HG11 ' B' ' 829' ' ' VAL . 11.6 mt -59.75 -47.59 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.199 1.4 . . . . 6.0 110.389 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.7 m -55.33 -23.38 23.46 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.32 1.23 . . . . 6.0 114.32 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -74.73 -56.18 5.07 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.579 1.081 . . . . 6.0 111.094 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.49 -33.08 70.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.746 0.818 . . . . 6.0 112.058 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -67.31 -9.88 45.43 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.009 1.723 . . . . 6.0 114.015 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -33.0 1.14 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.525 2.046 . . . . 6.0 116.525 -174.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 16.9 t -65.35 150.49 48.2 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.462 1.028 . . . . 6.0 113.629 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 62.9 p -140.72 -8.12 1.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.595 1.958 . . . . 6.0 113.807 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.6 117.5 6.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.75 1.62 . . . . 6.0 111.489 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -67.35 -8.82 35.53 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.528 1.677 . . . . 6.0 115.528 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.37 15.3 8.3 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.929 1.292 . . . . 6.0 113.202 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 45.9 t -54.97 125.91 57.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 107.01 -1.478 . . . . 6.0 107.01 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.91 -40.41 44.22 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.055 1.837 . . . . 6.0 111.649 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.19 -53.52 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 117.823 -1.084 . . . . 6.0 111.067 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.614 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 74.6 m -69.07 -29.65 67.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.85 1.796 . . . . 6.0 115.85 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.1 tp -41.2 -54.82 5.58 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 120.933 1.697 . . . . 6.0 114.959 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.71 -39.13 92.88 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.044 1.766 . . . . 6.0 113.082 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.94 -44.81 65.35 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.973 1.26 . . . . 6.0 111.837 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.614 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.7 mttt -58.79 -28.26 65.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.352 1.461 . . . . 6.0 110.52 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -89.95 -29.33 18.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.414 1.886 . . . . 6.0 113.193 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -69.02 -38.59 79.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.086 2.154 . . . . 6.0 114.152 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' B' ' 818' ' ' ASN 0.297 0.8 OUTLIER -84.37 48.99 1.58 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.368 1.618 . . . . 6.0 115.368 -174.85 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -151.27 145.87 25.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.046 1.338 . . . . 6.0 111.625 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -80.54 58.28 3.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.722 1.609 . . . . 6.0 112.085 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 . . . . . 0 N--CA 1.48 1.034 0 C-N-CA 125.87 1.668 . . . . 6.0 113.386 -177.588 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.373 0 N-CA-C 114.551 0.58 . . . . 6.0 114.551 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 6.4 m -57.52 -9.25 1.04 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.579 1.951 . . . . 6.0 115.704 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -126.53 12.28 7.46 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.798 2.039 . . . . 6.0 113.014 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 26.6 ttt -68.17 -9.85 49.86 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.999 1.32 . . . . 6.0 114.254 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 7.8 m -140.27 151.51 64.61 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.313 2.245 . . . . 6.0 110.8 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -78.28 7.9 3.85 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.837 3.024 . . . . 6.0 115.44 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -68.85 119.18 67.71 Favored Pre-proline 0 CA--C 1.545 0.75 0 C-N-CA 127.642 2.377 . . . . 6.0 110.976 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.63 161.16 8.17 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 123.181 2.587 . . . . 6.0 112.964 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.32 108.12 1.24 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.105 1.762 . . . . 6.0 114.132 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.76 125.26 37.87 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 126.427 1.891 . . . . 6.0 110.117 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.16 126.66 23.28 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 122.598 2.199 . . . . 6.0 113.749 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -46.82 -42.47 17.22 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.477 1.911 . . . . 6.0 114.865 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -67.37 -26.29 66.39 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.94 0.896 . . . . 6.0 113.41 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.15 -24.5 21.04 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.399 1.08 . . . . 6.0 112.723 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -54.73 -38.68 67.42 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.215 1.37 . . . . 6.0 111.838 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.21 -12.74 61.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 6.0 114.576 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 29.5 mt -70.68 131.35 43.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.464 1.029 . . . . 6.0 111.026 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.19 106.14 3.68 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.308 0.643 . . . . 6.0 109.452 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.5 p -86.47 -7.92 58.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.895 1.278 . . . . 6.0 114.104 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.42 -46.52 98.91 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-N 120.32 1.418 . . . . 6.0 112.871 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -62.62 -32.26 79.31 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.489 2.126 . . . . 6.0 112.134 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 40.0 mtt -65.08 -17.3 64.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.311 1.045 . . . . 6.0 113.714 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.25 -23.2 13.97 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.45 1.278 . . . . 6.0 114.45 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.26 -28.8 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 119.457 1.026 . . . . 6.0 111.835 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.69 -10.38 53.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.324 1.849 . . . . 6.0 113.94 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -45.33 -28.55 0.85 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 117.38 2.363 . . . . 6.0 117.38 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.4 37.53 1.88 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.661 1.184 . . . . 6.0 110.966 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 6.6 m -128.57 15.9 6.49 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 116.426 2.01 . . . . 6.0 116.426 -172.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -143.05 146.8 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.242 0.928 . . . . 6.0 112.777 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -111.3 85.56 2.15 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.646 1.979 . . . . 6.0 108.68 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.421 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -48.25 -36.89 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.162 1.385 . . . . 6.0 112.17 -175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.0 mt-10 -89.62 -19.89 24.36 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 116.276 1.954 . . . . 6.0 116.276 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -104.34 -18.07 14.57 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.67 1.359 . . . . 6.0 114.67 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 362' ' ' HIS . 0.9 OUTLIER -62.88 -43.01 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.427 1.091 . . . . 6.0 111.614 176.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 19.3 tpp -57.49 144.86 70.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 127.479 2.312 . . . . 6.0 114.447 -171.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -65.17 0.88 2.32 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 123.356 2.704 . . . . 6.0 114.432 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.605 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.343 5.5 p30 45.77 56.21 6.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.586 1.954 . . . . 6.0 114.289 175.269 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -155.92 -33.14 0.03 OUTLIER Glycine 0 CA--C 1.536 1.369 0 N-CA-C 116.507 1.363 . . . . 6.0 116.507 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . 0.404 ' HB3' HD23 ' B' ' 823' ' ' LEU . 17.2 m-20 -149.02 111.52 3.54 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-N 119.842 1.821 . . . . 6.0 114.238 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.04 -85.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 125.083 3.856 . . . . 6.0 116.688 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.12 -14.78 11.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.782 2.033 . . . . 6.0 115.807 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . 0.651 HD22 ' H ' ' B' ' 823' ' ' LEU . 1.2 mm? -67.76 -6.33 20.58 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 129.391 3.076 . . . . 6.0 113.307 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -41.51 -35.45 0.71 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.047 2.539 . . . . 6.0 114.955 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.01 3.73 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.311 1.434 . . . . 6.0 113.764 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -127.67 21.83 6.44 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.943 1.697 . . . . 6.0 112.726 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.78 6.06 6.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -176.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 14.1 t -159.5 -164.25 1.32 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.321 1.048 . . . . 6.0 112.245 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . 0.493 HG11 HD13 ' A' ' 415' ' ' ILE . 23.5 t -37.1 140.83 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 129.749 3.22 . . . . 6.0 113.053 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -142.84 -177.55 5.38 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.752 2.501 . . . . 6.0 117.752 -169.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.18 -40.53 67.61 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.282 -1.511 . . . . 6.0 113.04 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.38 0.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 125.937 1.695 . . . . 6.0 113.462 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -17.66 10.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.029 2.532 . . . . 6.0 113.276 -174.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.52 11.46 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.14 1.376 . . . . 6.0 111.784 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 20.2 t -158.3 158.03 33.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.461 2.705 . . . . 6.0 110.019 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 148.42 64.37 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.343 1.057 . . . . 6.0 113.462 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.71 168.6 21.04 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.312 2.675 . . . . 6.0 112.511 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.475 0.787 0 C-N-CA 125.024 1.33 . . . . 6.0 112.645 179.192 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.747 1.018 . . . . 6.0 113.747 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 47.5 p -149.15 165.84 30.58 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.444 1.898 . . . . 6.0 111.58 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -170.42 146.76 10.06 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.157 1.361 . . . . 6.0 111.371 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.36 -21.27 61.28 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.339 2.693 . . . . 6.0 114.686 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.1 p -79.78 -9.28 59.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.878 1.271 . . . . 6.0 113.863 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -133.58 -34.99 1.01 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.184 1.179 . . . . 6.0 114.184 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 19.3 t0 14.51 88.55 0.05 OUTLIER Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 130.196 3.399 . . . . 6.0 115.027 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.94 -43.9 19.27 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 124.719 3.612 . . . . 6.0 115.935 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.3 -42.53 59.37 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.425 -0.797 . . . . 6.0 112.133 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -41.35 96.66 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.307 -0.871 . . . . 6.0 110.025 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -55.57 -45.25 77.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.839 1.656 . . . . 6.0 110.333 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -60.76 -40.88 94.17 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.185 0.994 . . . . 6.0 111.695 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.31 -49.59 76.99 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.249 1.203 . . . . 6.0 114.249 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.21 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 120.436 1.471 . . . . 6.0 110.735 175.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.46 -46.31 83.8 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.231 0.923 . . . . 6.0 112.169 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.99 -47.92 81.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.248 1.019 . . . . 6.0 111.754 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.36 -45.14 89.05 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.699 1.136 . . . . 6.0 111.254 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 61.8 tp -54.17 -48.13 71.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.99 0.916 . . . . 6.0 111.209 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 20.6 t -68.53 -38.6 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.727 0.64 . . . . 6.0 112.727 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.415 HD21 HD12 ' A' ' 381' ' ' LEU . 13.2 mt -60.82 -40.89 94.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.265 0.939 . . . . 6.0 110.87 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.44 -47.12 83.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.299 0.64 . . . . 6.0 110.178 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.98 -40.23 72.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.802 0.841 . . . . 6.0 112.222 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -65.12 -57.54 8.34 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.478 0.581 . . . . 6.0 110.077 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.48 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.501 1.296 . . . . 6.0 114.501 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.05 -44.22 64.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.962 1.305 . . . . 6.0 112.31 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -90.05 -36.19 15.05 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.216 1.406 . . . . 6.0 111.64 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.72 -35.9 77.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.596 1.089 . . . . 6.0 112.511 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.02 -33.9 74.0 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.666 -1.271 . . . . 6.0 110.446 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -69.42 -39.21 78.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.358 1.463 . . . . 6.0 110.963 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -57.97 -47.14 83.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.719 0.808 . . . . 6.0 110.508 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.25 -48.52 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.476 0.71 . . . . 6.0 111.641 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.5 -38.1 66.07 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.904 1.282 . . . . 6.0 113.088 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.54 -9.97 59.22 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.406 1.632 . . . . 6.0 115.406 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -134.79 -37.81 0.81 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 115.74 1.756 . . . . 6.0 115.74 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 73.55 3.13 61.74 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.322 1.439 . . . . 6.0 116.458 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -146.8 22.37 1.26 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.235 1.518 . . . . 6.0 114.907 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 378' ' ' ALA . 61.2 t -57.65 138.69 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.754 1.222 . . . . 6.0 113.4 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 39.56 2.08 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.674 2.39 . . . . 6.0 110.141 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . 0.473 ' H ' HG12 ' A' ' 376' ' ' VAL . . . -124.4 36.26 4.65 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.991 2.116 . . . . 6.0 113.395 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.8 t -140.56 153.47 46.14 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 6.0 111.648 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 18.4 m -147.51 5.51 0.81 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.402 1.481 . . . . 6.0 114.254 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -62.86 121.58 69.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 119.813 1.188 . . . . 6.0 111.592 -178.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 60.5 Cg_exo -45.41 -30.18 5.44 Favored 'Trans proline' 0 CA--C 1.54 0.789 1 C-N-CA 125.783 4.322 . . . . 6.0 118.283 -179.001 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -131.21 22.39 4.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.597 1.159 . . . . 6.0 113.879 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.96 -49.55 65.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.72 0.808 . . . . 6.0 111.14 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -35.63 75.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.622 1.169 . . . . 6.0 112.916 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 34.8 m -64.46 -50.38 67.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.512 1.125 . . . . 6.0 109.38 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.2 mmt -64.27 -45.19 89.16 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.794 0.837 . . . . 6.0 111.814 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -56.66 -42.59 79.22 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.367 0.985 . . . . 6.0 111.862 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -66.27 -45.08 81.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.228 0.611 . . . . 6.0 111.407 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.5 -43.86 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.996 0.918 . . . . 6.0 111.268 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.79 -46.77 77.46 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.576 1.55 . . . . 6.0 112.454 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -60.46 -41.11 93.45 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.877 -0.514 . . . . 6.0 111.034 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -63.0 -53.93 46.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.039 0.936 . . . . 6.0 110.611 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 52.8 mtp -48.65 -40.07 26.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.987 2.115 . . . . 6.0 113.162 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 85.0 m -60.29 -24.01 64.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.976 1.31 . . . . 6.0 113.872 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -130.08 7.27 5.06 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.915 1.45 . . . . 6.0 114.915 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.45 156.7 9.93 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.828 1.251 . . . . 6.0 112.776 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -137.32 -11.9 1.63 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.079 1.352 . . . . 6.0 114.508 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -91.86 -18.47 23.74 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.557 0.947 . . . . 6.0 113.557 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 36.16 -105.81 0.03 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.073 2.273 . . . . 6.0 115.864 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -56.27 -13.68 2.31 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -125.32 10.42 8.0 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.603 1.961 . . . . 6.0 113.286 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.61 145.49 44.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.113 1.365 . . . . 6.0 113.675 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -77.36 -18.41 57.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.051 1.34 . . . . 6.0 112.686 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 68.1 t -80.47 105.57 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.166 0.986 . . . . 6.0 108.691 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.69 -29.02 36.95 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.007 1.484 . . . . 6.0 115.007 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.04 -24.56 21.15 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.899 1.444 . . . . 6.0 114.899 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.57 -69.25 0.13 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.792 1.637 . . . . 6.0 112.813 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.28 70.63 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.26 0.837 . . . . 6.0 113.26 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.466 ' HA ' HD22 ' B' ' 798' ' ' LEU . 75.0 m -66.42 -47.87 71.84 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.99 -0.444 . . . . 6.0 111.56 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.8 m -58.62 -48.19 81.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.127 1.371 . . . . 6.0 111.409 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.408 HH12 ' CB ' ' B' ' 835' ' ' SER . 28.2 mmm-85 -51.04 -38.0 48.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.959 1.304 . . . . 6.0 112.401 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -82.82 -40.75 19.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.916 0.886 . . . . 6.0 112.273 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -44.32 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.119 -0.988 . . . . 6.0 112.234 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.4 mt -56.39 -46.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.105 1.762 . . . . 6.0 111.415 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 65.6 m -57.18 -28.08 62.49 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.317 1.229 . . . . 6.0 114.317 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -71.21 -56.59 5.76 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.293 0.952 . . . . 6.0 111.051 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -58.78 -33.71 70.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.077 0.951 . . . . 6.0 112.004 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -60.55 -16.49 38.15 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.051 1.741 . . . . 6.0 114.639 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -130.95 -26.14 2.2 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.663 1.727 . . . . 6.0 115.663 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 38.0 t -70.25 131.19 43.82 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.792 1.178 . . . . 6.0 112.555 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 81.6 p -129.79 5.44 5.04 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.659 1.583 . . . . 6.0 114.301 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.69 164.29 10.05 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.82 1.248 . . . . 6.0 113.672 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -107.1 1.75 24.44 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.582 1.553 . . . . 6.0 112.069 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -140.82 9.95 2.19 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.348 1.61 . . . . 6.0 115.348 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 43.3 t -55.01 125.29 56.19 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.423 1.089 . . . . 6.0 109.594 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -43.09 60.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.006 2.47 . . . . 6.0 112.42 -177.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 54.7 t -83.09 -52.24 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 117.032 -1.461 . . . . 6.0 111.749 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 77.7 m -70.68 -27.09 63.76 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 121.49 1.95 . . . . 6.0 115.734 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.7 tp -38.25 -55.21 2.47 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 121.796 2.089 . . . . 6.0 115.144 -176.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.17 -37.06 99.08 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 121.963 1.775 . . . . 6.0 113.598 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.75 -43.83 57.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.246 1.384 . . . . 6.0 111.753 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -57.52 -35.96 70.94 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 6.0 109.134 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -75.12 -47.05 30.53 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.038 1.735 . . . . 6.0 111.072 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.39 -25.14 22.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.809 1.644 . . . . 6.0 113.141 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 63.0 p -119.91 13.55 12.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.851 1.66 . . . . 6.0 114.758 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -64.34 160.33 19.13 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.951 0.9 . . . . 6.0 112.25 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -145.37 44.37 1.31 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.411 1.485 . . . . 6.0 112.11 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.424 1.89 . . . . 6.0 111.907 -177.589 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 114.782 0.673 . . . . 6.0 114.782 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 50.1 m -130.68 5.61 4.68 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.885 1.674 . . . . 6.0 113.445 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -71.17 -14.6 62.33 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.265 1.426 . . . . 6.0 114.518 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 25.5 mmt -139.5 168.9 18.78 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.044 2.138 . . . . 6.0 110.454 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.6 146.76 56.91 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.478 1.111 . . . . 6.0 112.412 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.27 14.9 2.3 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.399 3.399 . . . . 6.0 114.329 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.69 110.7 61.37 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 127.243 2.217 . . . . 6.0 111.966 -176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -59.03 158.67 24.43 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.938 2.425 . . . . 6.0 112.7 177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -65.44 105.37 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.787 1.235 . . . . 6.0 113.614 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.31 125.25 11.81 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.624 2.37 . . . . 6.0 111.077 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -47.1 129.34 15.17 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.494 2.796 . . . . 6.0 114.391 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -54.11 -32.1 54.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.066 1.346 . . . . 6.0 113.979 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -77.11 -28.72 54.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.476 1.11 . . . . 6.0 113.017 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.7 mt -90.24 -32.52 16.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.341 1.237 . . . . 6.0 114.341 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -56.36 -29.41 61.37 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.206 1.367 . . . . 6.0 113.495 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -79.86 -9.97 59.73 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.655 1.582 . . . . 6.0 114.426 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 410' ' ' SER . 20.2 mt -64.38 138.41 58.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.79 1.177 . . . . 6.0 110.767 177.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -72.57 101.35 2.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.256 0.622 . . . . 6.0 110.538 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -7.45 57.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.072 1.349 . . . . 6.0 114.112 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.0 -47.93 95.87 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.586 1.539 . . . . 6.0 112.674 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.29 -33.58 89.4 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.456 2.104 . . . . 6.0 111.938 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 23.1 mtt -64.07 -17.4 63.35 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.585 0.957 . . . . 6.0 113.585 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -55.48 -22.93 23.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.991 1.269 . . . . 6.0 114.356 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.7 pt -62.5 -30.55 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 119.52 1.055 . . . . 6.0 111.324 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -84.65 -10.5 57.27 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.32 1.848 . . . . 6.0 114.138 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -48.08 -23.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 117.478 2.399 . . . . 6.0 117.478 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.63 33.12 1.63 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.48 1.512 . . . . 6.0 112.038 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.5 m -130.77 21.55 5.02 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.103 1.89 . . . . 6.0 116.103 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.39 154.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.991 0.814 . . . . 6.0 112.664 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -121.52 84.78 2.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.232 2.213 . . . . 6.0 109.29 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -47.79 -37.36 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.121 1.368 . . . . 6.0 112.527 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 43.7 mt-10 -90.95 -19.83 22.84 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.122 1.897 . . . . 6.0 116.122 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -104.79 -16.71 14.84 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.923 1.453 . . . . 6.0 114.923 -177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -43.96 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.218 1.007 . . . . 6.0 111.015 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 17.1 tpp -58.55 138.58 85.79 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.906 1.683 . . . . 6.0 113.631 -174.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.75 5.21 2.6 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.654 2.903 . . . . 6.0 113.783 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 50.81 45.09 27.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.257 2.223 . . . . 6.0 114.355 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -93.52 -71.66 1.16 Allowed Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.605 -0.685 . . . . 6.0 112.891 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.79 148.18 14.78 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.932 1.693 . . . . 6.0 111.216 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.64 -39.16 0.12 Allowed 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.038 1.826 . . . . 6.0 112.129 175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.57 -24.47 67.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.333 1.453 . . . . 6.0 112.748 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -19.61 12.15 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.825 2.85 . . . . 6.0 111.593 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.98 13.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.93 1.292 . . . . 6.0 113.193 173.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -55.63 -30.87 56.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.709 1.147 . . . . 6.0 113.835 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -113.69 10.88 18.02 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.853 2.061 . . . . 6.0 113.376 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -124.54 -168.94 1.89 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.589 1.155 . . . . 6.0 110.417 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . 0.275 9.4 t 58.02 -51.54 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 129.905 3.282 . . . . 6.0 117.714 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 34.7 m -156.55 172.35 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 127.076 2.15 . . . . 6.0 111.264 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -164.4 -158.03 0.4 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.542 1.137 . . . . 6.0 109.641 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -52.57 -34.52 50.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.147 -1.596 . . . . 6.0 112.911 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.7 6.68 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.739 1.616 . . . . 6.0 114.503 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -132.93 -23.95 1.95 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.22 1.808 . . . . 6.0 115.6 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 13.8 m -81.5 65.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.085 -1.009 . . . . 6.0 113.622 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . 0.408 ' CB ' HH12 ' A' ' 412' ' ' ARG . 1.6 p 51.96 16.11 0.49 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 118.007 2.595 . . . . 6.0 118.007 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -61.64 149.75 83.56 Favored Pre-proline 0 N--CA 1.479 0.997 0 O-C-N 120.503 -1.373 . . . . 6.0 112.715 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.72 -17.15 33.43 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.065 2.51 . . . . 6.0 114.299 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.662 1.585 . . . . 6.0 112.685 179.819 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 113.536 0.939 . . . . 6.0 113.536 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.4 p -72.41 -17.49 61.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.443 1.497 . . . . 6.0 114.241 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.05 47.0 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.351 1.453 . . . . 6.0 112.729 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.41 -25.3 76.08 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.346 2.697 . . . . 6.0 112.964 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 28.1 p -68.21 -6.9 25.99 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.819 1.648 . . . . 6.0 113.39 174.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.39 27.45 1.73 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.527 1.931 . . . . 6.0 111.62 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.88 110.09 1.97 Allowed Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 123.8 0.84 . . . . 6.0 112.383 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.09 -31.22 74.17 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.043 3.162 . . . . 6.0 115.738 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.16 -42.77 20.36 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.465 -0.772 . . . . 6.0 111.332 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -59.27 -45.26 91.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.701 -0.624 . . . . 6.0 109.896 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -48.48 -44.64 35.97 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.366 1.467 . . . . 6.0 111.563 177.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -65.84 -44.21 86.2 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.785 0.72 . . . . 6.0 111.933 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 47.8 mt -56.19 -44.12 79.13 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.04 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 119.836 1.198 . . . . 6.0 111.039 173.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -57.21 -50.29 73.33 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.499 1.499 . . . . 6.0 112.804 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -59.64 -47.01 87.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.303 1.441 . . . . 6.0 111.858 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -64.66 -44.26 90.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.426 1.012 . . . . 6.0 111.27 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.66 -52.94 58.34 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.576 0.75 . . . . 6.0 110.596 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.98 -41.49 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 113.019 0.748 . . . . 6.0 113.019 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 381' ' ' LEU . 11.6 mt -57.82 -40.33 79.71 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.942 0.792 . . . . 6.0 111.527 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.22 -45.67 79.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.486 0.714 . . . . 6.0 111.288 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.54 -41.96 77.69 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.531 0.733 . . . . 6.0 111.06 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.9 -59.63 4.28 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.401 0.62 . . . . 6.0 109.961 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.4 66.65 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 117.492 2.405 . . . . 6.0 117.492 -174.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -64.19 -49.01 73.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.875 1.67 . . . . 6.0 111.996 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -27.47 63.22 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.384 -0.823 . . . . 6.0 111.715 174.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.38 -32.06 70.86 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.469 0.577 . . . . 6.0 110.768 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -61.63 -44.14 97.54 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.208 -1.557 . . . . 6.0 108.775 173.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -59.68 -45.87 90.78 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.174 0.99 . . . . 6.0 111.255 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -56.81 -52.01 66.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.982 1.713 . . . . 6.0 111.659 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.09 -44.83 96.76 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.907 1.683 . . . . 6.0 111.385 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -64.43 -45.25 88.33 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.42 1.488 . . . . 6.0 112.259 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.578 1.151 . . . . 6.0 113.461 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.49 -32.75 71.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.022 0.529 . . . . 6.0 112.244 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 59.7 14.53 29.66 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.532 1.539 . . . . 6.0 116.917 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -141.46 20.1 2.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.261 1.424 . . . . 6.0 112.135 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 378' ' ' ALA . 7.7 p -150.19 150.67 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.998 1.719 . . . . 6.0 110.762 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -136.45 23.55 3.19 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.293 1.837 . . . . 6.0 112.617 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . 0.561 ' H ' HG22 ' A' ' 376' ' ' VAL . . . -148.46 176.14 10.55 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.333 1.453 . . . . 6.0 114.313 -176.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 9.8 t -146.56 -168.98 3.16 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.315 2.246 . . . . 6.0 111.016 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.7 m -105.62 -17.06 14.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.623 1.969 . . . . 6.0 112.947 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -69.24 127.66 92.83 Favored Pre-proline 0 CA--C 1.554 1.116 0 CA-C-N 119.148 0.886 . . . . 6.0 109.289 176.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 84.2 Cg_exo -47.01 -28.47 7.27 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 125.11 3.873 . . . . 6.0 117.663 -177.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -131.4 23.29 4.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.812 1.245 . . . . 6.0 113.556 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.0 -49.34 66.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 6.0 111.183 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.92 74.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.326 1.051 . . . . 6.0 113.168 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 76.1 m -64.95 -51.0 64.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.463 1.105 . . . . 6.0 109.242 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.13 -44.01 93.53 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.976 0.91 . . . . 6.0 112.143 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -57.28 -43.08 82.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.98 0.912 . . . . 6.0 111.298 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -65.97 -42.37 89.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.292 0.637 . . . . 6.0 112.138 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.96 -46.51 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.038 0.935 . . . . 6.0 110.923 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.08 -45.07 86.78 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.646 1.179 . . . . 6.0 111.459 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -57.01 -43.0 81.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.944 -0.473 . . . . 6.0 110.833 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -61.22 -54.77 39.95 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.276 0.63 . . . . 6.0 109.984 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 80.3 mtp -52.25 -38.76 59.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.409 . . . . 6.0 113.467 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 31.1 m -65.8 -10.75 40.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.288 1.435 . . . . 6.0 113.593 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -128.77 -14.16 4.58 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.096 1.358 . . . . 6.0 113.227 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.84 131.74 44.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.09 1.756 . . . . 6.0 110.78 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -104.13 -2.1 26.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.701 1.2 . . . . 6.0 113.992 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.14 -7.68 56.22 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.26 -141.02 38.56 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.388 0.994 . . . . 6.0 113.987 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.42 17.02 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.743 1.617 . . . . 6.0 114.5 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -131.56 9.45 4.67 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.975 1.71 . . . . 6.0 114.061 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.51 154.54 13.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.294 1.038 . . . . 6.0 113.309 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -78.91 -20.31 49.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.346 1.458 . . . . 6.0 112.646 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.6 t -75.12 118.76 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.474 1.034 . . . . 6.0 108.367 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.0 59.4 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.981 1.845 . . . . 6.0 115.981 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -80.31 -27.91 38.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 12.0 t -55.96 -70.23 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.407 1.483 . . . . 6.0 113.958 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.85 74.48 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.746 -0.596 . . . . 6.0 112.156 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.464 ' HA ' HD22 ' B' ' 798' ' ' LEU . 49.2 m -62.09 -50.22 72.81 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.23 0.612 . . . . 6.0 110.899 177.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 74.9 m -59.6 -45.46 91.84 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.025 1.73 . . . . 6.0 112.187 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -32.57 66.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.735 1.214 . . . . 6.0 112.313 177.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.47 -47.16 12.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.542 1.137 . . . . 6.0 111.629 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.8 tt -57.33 -43.69 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.182 1.393 . . . . 6.0 114.455 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.2 mt -61.32 -49.55 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 6.0 111.057 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 14.2 t -61.0 -30.71 70.45 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.633 1.345 . . . . 6.0 114.633 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -57.81 -57.84 10.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.994 1.27 . . . . 6.0 110.989 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . 0.504 ' HE1' ' CB ' ' B' ' 824' ' ' ALA . 4.8 t-105 -56.9 -37.01 70.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.139 0.975 . . . . 6.0 113.305 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -69.69 -9.85 55.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.523 1.305 . . . . 6.0 114.523 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -126.83 -24.61 3.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.506 1.669 . . . . 6.0 115.506 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.81 108.35 2.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.796 1.238 . . . . 6.0 112.259 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 39.4 p -82.74 -11.64 58.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.935 1.294 . . . . 6.0 113.821 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.415 ' NH2' ' SG ' ' A' ' 426' ' ' CYS . 80.8 mtm180 -65.24 122.85 18.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.346 1.459 . . . . 6.0 113.047 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -75.96 -2.35 30.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.043 0.537 . . . . 6.0 112.193 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.57 17.51 5.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.488 1.515 . . . . 6.0 114.749 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . 0.415 ' SG ' ' NH2' ' A' ' 423' ' ' ARG . 19.2 t -55.73 134.19 72.23 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.049 0.94 . . . . 6.0 109.494 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.14 -23.75 77.84 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.481 2.12 . . . . 6.0 112.214 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 70.7 t -101.61 -51.28 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 117.236 -1.364 . . . . 6.0 111.359 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.433 ' CB ' ' HZ1' ' A' ' 433' ' ' LYS . 66.5 m -69.07 -27.14 65.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 121.196 1.816 . . . . 6.0 115.386 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -38.39 -56.74 2.06 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 120.569 1.531 . . . . 6.0 114.485 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.76 -40.34 73.67 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.086 1.857 . . . . 6.0 113.649 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.94 -36.29 81.89 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.353 1.433 . . . . 6.0 110.97 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.433 ' HZ1' ' CB ' ' A' ' 429' ' ' CYS . 52.3 mttt -66.6 -38.49 87.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.8 1.24 . . . . 6.0 109.017 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -67.58 -31.11 70.95 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.331 1.052 . . . . 6.0 111.733 170.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -70.21 -18.59 63.18 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.422 1.489 . . . . 6.0 112.576 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.02 10.28 3.05 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.398 1.999 . . . . 6.0 116.398 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -153.6 156.98 38.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.756 1.622 . . . . 6.0 109.965 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 49.21 37.4 11.06 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.143 1.777 . . . . 6.0 113.582 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 126.612 1.965 . . . . 6.0 111.456 -177.192 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 N-CA-C 114.846 0.698 . . . . 6.0 114.846 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 40.5 p -61.4 144.49 53.99 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.806 1.243 . . . . 6.0 112.953 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -142.01 159.26 42.59 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.282 1.833 . . . . 6.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 64.0 mtt -143.43 158.72 43.42 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.12 1.368 . . . . 6.0 111.967 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 27.7 m -144.15 158.47 55.11 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 126.738 2.015 . . . . 6.0 110.17 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 134.66 61.2 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.002 2.468 . . . . 6.0 113.437 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -75.3 127.79 85.68 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.981 1.312 . . . . 6.0 111.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -57.2 158.73 17.29 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 123.366 2.711 . . . . 6.0 112.22 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -64.62 107.28 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.62 1.168 . . . . 6.0 113.053 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.1 124.66 22.14 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.106 2.162 . . . . 6.0 110.892 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -50.26 126.48 17.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.794 2.996 . . . . 6.0 113.954 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -47.31 -44.62 23.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.775 1.63 . . . . 6.0 113.847 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -65.33 -25.74 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.677 1.191 . . . . 6.0 113.188 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 22.7 mt -90.13 -28.63 18.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.283 1.033 . . . . 6.0 112.092 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -60.31 -32.65 71.42 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.199 1.363 . . . . 6.0 111.055 174.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -64.24 -23.46 67.32 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.531 1.532 . . . . 6.0 113.24 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 410' ' ' SER . 50.1 mt -70.02 125.95 28.27 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.277 -0.889 . . . . 6.0 110.453 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -71.48 117.2 12.73 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.642 -1.244 . . . . 6.0 107.642 173.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -90.08 -3.69 57.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.918 1.687 . . . . 6.0 114.934 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -44.2 98.67 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 120.131 1.332 . . . . 6.0 112.938 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.71 -37.75 65.9 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.145 1.897 . . . . 6.0 111.587 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -17.83 63.36 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.894 1.072 . . . . 6.0 113.894 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -51.47 -24.24 4.85 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.262 1.392 . . . . 6.0 114.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 14.6 pt -67.12 -26.15 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.63 0.772 . . . . 6.0 112.892 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -88.23 -9.9 51.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.814 2.045 . . . . 6.0 114.887 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -51.18 -21.59 2.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 117.957 2.577 . . . . 6.0 117.957 -172.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -140.72 30.53 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 6.0 113.232 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.8 18.75 5.11 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.616 1.71 . . . . 6.0 115.616 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.96 148.2 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 O-C-N 121.069 -1.019 . . . . 6.0 113.023 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -117.86 83.63 2.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.73 2.012 . . . . 6.0 107.844 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . . . . . . . . . 1.5 mt -43.92 -43.43 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.289 1.836 . . . . 6.0 112.8 -173.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 52.0 mt-10 -85.08 -19.73 31.47 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.966 1.839 . . . . 6.0 115.966 -176.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -99.38 -18.3 17.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.162 1.542 . . . . 6.0 115.162 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -41.39 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.833 1.253 . . . . 6.0 110.724 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 11.5 tpp -67.16 137.12 94.12 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 125.228 1.411 . . . . 6.0 111.818 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.34 -3.39 13.28 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 123.683 2.922 . . . . 6.0 113.753 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 42.8 t30 58.21 101.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.848 2.859 . . . . 6.0 115.959 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -167.46 -40.96 0.02 OUTLIER Glycine 0 CA--C 1.535 1.311 0 N-CA-C 115.303 0.881 . . . . 6.0 115.303 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -163.97 144.37 6.68 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.387 1.475 . . . . 6.0 110.94 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.01 -35.48 8.92 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 121.321 1.348 . . . . 6.0 111.63 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.42 -12.97 57.4 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.926 -1.109 . . . . 6.0 112.683 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -11.2 44.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.558 2.343 . . . . 6.0 111.144 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . 0.504 ' CB ' ' HE1' ' A' ' 418' ' ' TRP . . . 21.94 60.92 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 118.285 2.698 . . . . 6.0 118.285 173.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . 74.03 -15.61 3.12 Favored Glycine 0 CA--C 1.542 1.748 0 O-C-N 120.394 -1.441 . . . . 6.0 116.444 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 155.18 -19.66 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.832 1 C-N-CA 134.179 4.992 . . . . 6.0 110.624 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . 0.254 35.1 t-20 51.55 41.67 28.84 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.293 2.237 . . . . 6.0 112.908 -175.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . 0.422 HG22 ' H ' ' B' ' 828' ' ' THR . 4.4 t -69.89 -34.83 74.06 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.452 2.301 . . . . 6.0 111.726 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 8.8 m -72.61 62.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 127.074 2.15 . . . . 6.0 111.887 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -142.89 -41.98 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.967 2.21 . . . . 6.0 116.967 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -136.57 24.87 3.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.009 . . . . 6.0 111.874 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 2.0 p -146.11 -48.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.868 1.267 . . . . 6.0 112.559 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -18.28 63.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.854 1.057 . . . . 6.0 113.854 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 12.8 m -71.14 68.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 127.453 2.301 . . . . 6.0 115.005 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 3.3 m 63.99 -7.69 0.2 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 117.423 2.379 . . . . 6.0 117.423 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -157.67 124.47 2.59 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 125.424 1.49 . . . . 6.0 110.249 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.4 162.76 41.3 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.856 2.371 . . . . 6.0 112.879 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.712 0 C-N-CA 125.013 1.325 . . . . 6.0 112.158 179.083 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 112.497 0.554 . . . . 6.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 29.5 p -69.25 -16.82 63.67 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.04 1.336 . . . . 6.0 113.884 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -172.39 61.42 0.15 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.796 1.189 . . . . 6.0 113.824 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -61.21 -18.52 58.94 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.557 2.838 . . . . 6.0 114.109 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 15.0 p -78.93 -11.4 60.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.718 1.607 . . . . 6.0 113.12 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -125.18 -25.0 3.89 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.866 1.266 . . . . 6.0 114.03 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 48.6 t0 20.47 78.77 0.17 Allowed Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 129.316 3.046 . . . . 6.0 114.311 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.56 -43.74 14.05 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 125.004 3.803 . . . . 6.0 116.452 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.82 -42.9 94.62 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.526 -0.734 . . . . 6.0 111.671 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -37.39 73.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.207 1.403 . . . . 6.0 112.388 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.455 HH11 HE22 ' A' ' 354' ' ' GLN . 2.8 tmm_? -52.41 -43.24 64.69 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.23 1.412 . . . . 6.0 112.659 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -69.95 -35.54 74.58 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.589 0.631 . . . . 6.0 112.603 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' B' ' 807' ' ' ARG . 52.3 mt -60.65 -45.22 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.468 1.284 . . . . 6.0 114.468 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -41.6 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 120.439 1.472 . . . . 6.0 110.49 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.455 HE22 HH11 ' A' ' 350' ' ' ARG . 98.2 mt-30 -55.95 -44.55 78.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.288 0.949 . . . . 6.0 112.918 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.62 -47.51 72.42 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.222 -0.894 . . . . 6.0 112.121 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -63.34 -43.6 97.25 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.35 1.432 . . . . 6.0 110.765 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 45.5 tp -53.85 -54.94 31.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.803 0.841 . . . . 6.0 111.205 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.465 HG21 HG23 ' B' ' 812' ' ' ILE . 20.7 t -61.29 -40.21 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 112.569 0.581 . . . . 6.0 112.569 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.83 -41.18 86.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.395 0.543 . . . . 6.0 111.91 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.05 -46.8 76.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.825 . . . . 6.0 111.401 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 77.1 mt -57.16 -40.72 77.8 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.004 0.921 . . . . 6.0 110.741 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -65.09 -60.99 2.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.331 0.653 . . . . 6.0 110.835 174.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -50.35 -36.67 33.34 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.889 1.676 . . . . 6.0 114.708 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -65.93 -52.61 48.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.755 1.162 . . . . 6.0 111.375 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -60.77 -32.21 71.54 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.14 -0.975 . . . . 6.0 111.746 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . 0.417 ' CB ' ' HZ1' ' A' ' 388' ' ' LYS . 4.4 t -72.83 -41.43 64.86 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.125 1.37 . . . . 6.0 110.583 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.64 -36.29 80.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.163 -1.586 . . . . 6.0 110.688 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -56.14 -16.04 4.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.852 1.056 . . . . 6.0 113.852 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.52 -25.91 64.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.286 1.403 . . . . 6.0 111.415 174.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.61 -26.12 66.94 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.785 -1.197 . . . . 6.0 112.449 175.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -90.08 -38.66 13.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.31 1.044 . . . . 6.0 110.788 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.44 -19.09 56.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.817 1.414 . . . . 6.0 114.817 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -139.26 -51.62 0.53 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.176 1.391 . . . . 6.0 113.511 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 94.55 -11.19 70.4 Favored Glycine 0 N--CA 1.476 1.343 0 N-CA-C 116.309 1.284 . . . . 6.0 116.309 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -123.97 17.71 9.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.332 1.453 . . . . 6.0 112.919 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 99.3 t -135.81 133.34 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.565 1.546 . . . . 6.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -121.26 -31.55 4.08 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.566 1.546 . . . . 6.0 113.976 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -158.88 164.02 36.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.576 1.08 . . . . 6.0 112.932 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 p -104.29 -89.17 0.41 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.253 2.221 . . . . 6.0 113.501 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 92.8 p -158.03 -1.72 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.985 1.846 . . . . 6.0 115.985 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.2 OUTLIER -56.48 126.75 70.65 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-N 120.353 1.433 . . . . 6.0 109.477 177.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 381' ' ' LEU . 20.0 Cg_exo -41.31 -31.37 0.97 Allowed 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 125.442 4.095 . . . . 6.0 118.322 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -128.61 21.15 6.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.084 1.354 . . . . 6.0 113.679 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.58 -49.59 64.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 6.0 109.628 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -64.78 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.955 1.302 . . . . 6.0 113.288 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.4 m -60.53 -50.28 74.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.151 0.98 . . . . 6.0 109.196 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -45.57 82.66 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 124.322 1.049 . . . . 6.0 111.079 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . 0.417 ' HZ1' ' CB ' ' A' ' 366' ' ' CYS . 77.7 mttt -57.22 -40.81 78.28 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.968 1.258 . . . . 6.0 112.573 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -62.67 -44.18 96.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.274 0.629 . . . . 6.0 111.276 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.47 -41.09 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.421 1.089 . . . . 6.0 111.452 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.24 -49.45 67.17 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.39 1.876 . . . . 6.0 112.296 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.45 -41.11 88.9 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.774 -0.579 . . . . 6.0 110.517 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -60.23 -54.2 48.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.524 0.729 . . . . 6.0 110.395 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 65.7 mtp -51.55 -38.85 56.23 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.122 1.769 . . . . 6.0 113.318 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 15.8 m -64.36 -14.03 54.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.584 1.154 . . . . 6.0 113.14 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -123.33 -21.16 5.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.337 1.455 . . . . 6.0 113.375 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.27 150.21 46.49 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.559 1.544 . . . . 6.0 111.406 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -134.99 7.91 3.46 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.356 1.463 . . . . 6.0 113.263 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.57 2.42 16.55 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.738 1.384 . . . . 6.0 114.738 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 50.46 -128.57 28.1 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.308 1.432 . . . . 6.0 114.093 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.64 4.9 6.84 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.765 1.626 . . . . 6.0 115.266 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.37 7.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.352 1.612 . . . . 6.0 115.352 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.38 149.48 29.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.736 1.013 . . . . 6.0 113.736 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.98 -21.15 60.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.797 1.239 . . . . 6.0 112.725 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.95 110.84 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.668 -1.234 . . . . 6.0 107.668 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.62 -43.54 36.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.319 1.6 . . . . 6.0 115.319 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -80.99 -26.84 36.22 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 117.586 -1.197 . . . . 6.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 32.8 t -59.39 -66.97 0.42 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.518 1.527 . . . . 6.0 113.881 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.01 72.26 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.618 -0.677 . . . . 6.0 112.202 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.423 ' HA ' HD22 ' B' ' 798' ' ' LEU . 31.7 m -65.22 -46.95 78.56 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.796 0.438 . . . . 6.0 110.551 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 69.3 m -58.78 -46.48 87.42 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.355 . . . . 6.0 112.394 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -51.67 -43.5 62.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.182 0.993 . . . . 6.0 111.972 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -75.52 -46.86 29.73 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.814 0.846 . . . . 6.0 111.951 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -55.95 -46.91 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.613 1.165 . . . . 6.0 113.101 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.87 -54.04 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.979 1.311 . . . . 6.0 110.041 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.9 m -57.2 -26.49 60.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.199 1.185 . . . . 6.0 114.199 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -64.13 -64.8 0.79 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.107 0.867 . . . . 6.0 109.846 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -56.67 -38.59 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.889 1.276 . . . . 6.0 113.768 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -65.75 -10.05 33.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 6.0 114.334 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -129.97 -21.49 3.0 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.477 1.658 . . . . 6.0 115.477 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 36.6 t -64.34 109.78 2.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.855 1.262 . . . . 6.0 113.536 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 37.8 p -87.12 -10.83 51.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.1 1.36 . . . . 6.0 113.348 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.418 ' NH1' ' SG ' ' A' ' 421' ' ' CYS . 10.0 mtp-105 -65.63 105.23 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.724 1.61 . . . . 6.0 112.082 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -66.42 -6.93 16.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.366 1.067 . . . . 6.0 113.228 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.65 10.46 9.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.017 1.727 . . . . 6.0 113.971 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.7 t -54.28 130.94 61.27 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.236 1.014 . . . . 6.0 109.357 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.68 -46.45 26.83 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.619 2.213 . . . . 6.0 110.919 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.23 -53.86 17.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 117.669 -1.158 . . . . 6.0 111.419 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 63.3 m -68.94 -29.42 67.66 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 115.973 1.842 . . . . 6.0 115.973 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 68.6 tp -42.09 -54.0 7.87 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 120.933 1.697 . . . . 6.0 115.461 -174.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.79 -37.03 98.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 122.153 1.805 . . . . 6.0 112.917 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.7 -41.42 65.29 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.953 1.251 . . . . 6.0 111.617 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.436 ' NZ ' ' SG ' ' A' ' 421' ' ' CYS . 48.3 mttt -63.16 -23.72 67.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.161 1.384 . . . . 6.0 110.755 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -84.8 -47.6 10.22 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.754 1.622 . . . . 6.0 109.828 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.583 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.41 -40.86 65.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.942 2.097 . . . . 6.0 113.1 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 61.8 p -81.72 0.41 39.03 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.429 1.492 . . . . 6.0 113.756 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -137.89 35.25 2.39 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.127 1.371 . . . . 6.0 113.151 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -69.5 24.85 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.983 1.713 . . . . 6.0 114.076 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.28 2.232 . . . . 6.0 112.465 179.659 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.492 0 N-CA-C 114.769 0.667 . . . . 6.0 114.769 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 13.0 t -62.49 -28.63 69.97 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.08 1.352 . . . . 6.0 113.481 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -150.18 163.34 38.48 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.052 1.741 . . . . 6.0 110.906 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -63.81 157.39 24.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.046 0.938 . . . . 6.0 113.052 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.78 147.35 98.13 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 123.759 0.824 . . . . 6.0 111.898 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.08 156.95 47.05 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 122.864 2.376 . . . . 6.0 112.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -148.82 109.09 3.51 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 126.372 1.869 . . . . 6.0 107.913 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -57.13 157.18 21.84 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.946 2.431 . . . . 6.0 113.571 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -61.6 109.17 1.12 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.395 1.478 . . . . 6.0 112.497 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.57 129.87 70.38 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 126.571 1.948 . . . . 6.0 111.758 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -55.68 121.1 9.36 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.583 2.189 . . . . 6.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -27.01 66.66 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.137 1.532 . . . . 6.0 115.137 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -67.09 -25.9 66.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.532 1.06 . . . . 6.0 111.719 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 30.8 mt -90.36 -27.07 19.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.816 1.247 . . . . 6.0 112.414 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.34 -36.73 73.85 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 120.167 1.349 . . . . 6.0 110.863 174.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.21 -16.85 63.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.236 1.414 . . . . 6.0 114.403 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 410' ' ' SER . 26.0 mt -68.04 124.7 24.12 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.978 1.263 . . . . 6.0 109.2 175.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -68.12 109.88 3.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.751 -0.833 . . . . 6.0 108.751 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -4.36 58.87 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 115.332 1.604 . . . . 6.0 115.332 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.88 -45.89 99.83 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 120.333 1.424 . . . . 6.0 113.076 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -35.4 80.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.996 1.798 . . . . 6.0 112.487 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -18.21 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.383 1.073 . . . . 6.0 113.582 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -52.21 -24.23 6.87 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.075 1.307 . . . . 6.0 114.14 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 16.2 pt -67.15 -25.62 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 118.822 0.737 . . . . 6.0 112.472 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -89.28 -10.25 47.57 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 6.0 114.179 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . 0.406 ' HB2' HD21 ' A' ' 352' ' ' LEU . 47.4 tpt85 -47.34 -27.3 1.55 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.914 2.19 . . . . 6.0 116.914 -174.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.32 32.03 2.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 6.0 112.42 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 5.0 m -127.72 19.01 6.73 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.112 1.523 . . . . 6.0 115.112 -174.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.7 t -145.02 153.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.29 1.036 . . . . 6.0 112.207 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -124.5 87.79 2.78 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.89 2.076 . . . . 6.0 108.287 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.465 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -45.89 -40.54 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.034 1.734 . . . . 6.0 113.067 -172.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.583 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 38.7 mt-10 -87.62 -19.96 27.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.225 1.935 . . . . 6.0 116.225 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -91.79 -24.95 19.25 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -45.12 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.859 1.264 . . . . 6.0 112.471 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 5.5 tpp -65.26 137.87 96.97 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.454 1.101 . . . . 6.0 113.71 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -76.21 17.98 0.7 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 124.354 3.369 . . . . 6.0 114.132 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 436' ' ' SER 0.298 0.8 OUTLIER 47.21 35.27 3.57 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.784 2.433 . . . . 6.0 117.049 179.879 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -75.07 -77.95 0.66 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.627 0.632 . . . . 6.0 111.956 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -173.26 150.72 1.93 Allowed Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 126.592 1.957 . . . . 6.0 110.927 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -63.97 -39.79 30.73 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.095 1.863 . . . . 6.0 113.08 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.37 -36.73 81.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.277 1.031 . . . . 6.0 111.421 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -36.52 81.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.797 2.039 . . . . 6.0 110.123 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -58.62 -18.91 34.29 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.51 -30.74 59.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.576 1.084 . . . . 6.0 113.262 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -125.87 -15.59 5.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.111 1.365 . . . . 6.0 114.0 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -62.11 -27.04 68.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.074 0.95 . . . . 6.0 113.515 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 10.0 t -152.97 164.47 37.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.737 1.215 . . . . 6.0 113.088 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 5.7 m 33.71 74.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.476 2.71 . . . . 6.0 114.751 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.48 163.32 11.14 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.864 1.802 . . . . 6.0 115.864 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.6 -33.18 65.99 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.744 -1.222 . . . . 6.0 113.406 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.6 -29.84 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.762 0.825 . . . . 6.0 111.129 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -63.67 -31.86 73.17 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.048 1.739 . . . . 6.0 111.431 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 11.1 m -109.1 20.13 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 126.015 1.726 . . . . 6.0 111.985 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 86.6 p 37.12 47.82 0.68 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 130.027 3.331 . . . . 6.0 118.237 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -60.05 146.55 82.41 Favored Pre-proline 0 N--CA 1.481 1.086 0 O-C-N 120.887 -1.133 . . . . 6.0 112.408 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.16 -16.1 22.66 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 123.393 2.729 . . . . 6.0 113.748 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 125.68 1.592 . . . . 6.0 113.769 179.068 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 112.654 0.613 . . . . 6.0 112.654 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 4.8 p -81.85 -0.19 42.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.345 1.458 . . . . 6.0 113.273 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.34 163.43 34.13 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 127.244 2.355 . . . . 6.0 111.07 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.14 -22.91 53.6 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.302 2.668 . . . . 6.0 113.335 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.5 p -77.8 -4.5 46.82 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.023 1.729 . . . . 6.0 113.474 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -131.56 148.99 52.67 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.978 1.263 . . . . 6.0 113.54 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -157.93 106.49 1.75 Allowed Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.111 1.364 . . . . 6.0 109.982 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.28 -44.54 42.47 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.213 3.275 . . . . 6.0 116.284 -176.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -71.09 -48.63 51.34 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.307 -0.87 . . . . 6.0 112.13 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -40.77 96.87 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.789 -0.57 . . . . 6.0 110.019 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.53 -46.1 77.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.547 1.539 . . . . 6.0 111.395 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.76 -42.89 99.56 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.167 0.894 . . . . 6.0 111.631 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.69 -49.03 74.07 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.881 1.067 . . . . 6.0 113.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -41.5 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 120.607 1.549 . . . . 6.0 111.526 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.69 -45.53 81.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.99 1.268 . . . . 6.0 112.403 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.72 -48.07 78.55 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.501 1.12 . . . . 6.0 111.676 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.78 -43.74 95.45 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.275 1.398 . . . . 6.0 110.789 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -54.21 -54.17 43.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.897 0.879 . . . . 6.0 110.747 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.442 HG21 HG23 ' B' ' 812' ' ' ILE . 24.9 t -64.49 -38.17 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.256 0.836 . . . . 6.0 113.256 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.88 -39.41 85.21 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.066 0.848 . . . . 6.0 110.874 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.1 -45.57 84.65 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.598 0.636 . . . . 6.0 110.439 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.06 -42.65 76.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.182 0.593 . . . . 6.0 111.603 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -63.63 -59.65 4.33 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.031 0.443 . . . . 6.0 110.345 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.43 65.68 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.586 1.328 . . . . 6.0 114.586 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -55.81 -48.02 76.16 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.439 1.018 . . . . 6.0 111.442 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -80.53 -36.86 32.55 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.535 0.734 . . . . 6.0 111.594 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.33 -34.81 75.88 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.448 1.022 . . . . 6.0 111.863 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -61.58 -38.74 88.65 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.861 -1.149 . . . . 6.0 110.094 173.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -66.96 -39.59 87.28 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.187 0.995 . . . . 6.0 111.225 173.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -57.36 -45.62 84.19 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.1 0.863 . . . . 6.0 111.048 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.53 -47.29 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.062 0.545 . . . . 6.0 112.058 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -58.27 -29.07 65.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.348 0.976 . . . . 6.0 113.632 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -69.71 -10.98 60.45 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.677 1.362 . . . . 6.0 114.677 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -141.66 -23.2 0.72 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.284 1.587 . . . . 6.0 115.284 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 103.32 -22.98 34.58 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.635 2.064 . . . . 6.0 113.015 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -162.05 163.43 28.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.49 2.316 . . . . 6.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.6 p -151.65 162.15 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.26 1.024 . . . . 6.0 111.859 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.59 40.82 2.21 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.345 1.858 . . . . 6.0 111.32 177.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -132.18 32.81 3.95 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.162 1.785 . . . . 6.0 113.011 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.65 165.15 28.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.922 1.289 . . . . 6.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 87.4 p -161.56 2.62 0.06 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.755 1.622 . . . . 6.0 115.279 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -59.34 122.43 63.82 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-N 119.983 1.265 . . . . 6.0 112.122 -178.42 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 381' ' ' LEU . 67.2 Cg_exo -46.04 -29.81 6.65 Favored 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.72 4.28 . . . . 6.0 117.733 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -127.06 19.92 6.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.052 1.341 . . . . 6.0 113.82 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.13 -51.92 60.4 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.633 0.652 . . . . 6.0 110.733 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.74 72.88 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.826 1.046 . . . . 6.0 113.826 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 28.0 m -65.27 -50.09 67.07 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.036 1.335 . . . . 6.0 108.96 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.65 -45.99 77.18 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.176 0.99 . . . . 6.0 111.989 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -54.08 -40.86 67.6 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.951 1.251 . . . . 6.0 112.056 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.73 -47.47 80.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.675 0.79 . . . . 6.0 111.683 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.24 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.848 1.259 . . . . 6.0 111.845 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 51.6 mt -67.08 -49.35 65.36 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.04 1.736 . . . . 6.0 111.501 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -57.88 -42.83 85.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.874 -0.516 . . . . 6.0 110.72 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -59.74 -53.82 53.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.803 0.841 . . . . 6.0 110.553 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -36.06 58.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.088 1.755 . . . . 6.0 113.882 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 16.8 m -65.61 -12.0 49.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 6.0 112.955 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.21 -23.38 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.184 1.394 . . . . 6.0 113.435 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.82 140.82 58.91 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.312 1.445 . . . . 6.0 112.468 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -120.93 2.23 10.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.449 1.5 . . . . 6.0 113.589 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -75.65 -12.45 60.21 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.721 1.008 . . . . 6.0 113.721 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 57.01 -143.28 40.79 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.522 1.058 . . . . 6.0 114.081 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -68.29 30.8 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.733 2.013 . . . . 6.0 114.361 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -145.86 4.61 0.99 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.57 1.948 . . . . 6.0 113.743 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 34.3 t -58.2 153.09 15.72 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.881 1.272 . . . . 6.0 113.812 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -68.88 -25.78 64.78 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.233 1.413 . . . . 6.0 112.121 176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.46 112.83 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.522 -0.918 . . . . 6.0 108.522 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.57 45.32 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.215 1.561 . . . . 6.0 115.215 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -85.75 -19.24 31.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.216 1.191 . . . . 6.0 114.216 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 9.6 t -66.45 -63.49 1.06 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.22 1.373 . . . . 6.0 110.453 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.44 66.7 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.445 0.906 . . . . 6.0 113.445 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.456 ' HA ' HD22 ' B' ' 798' ' ' LEU . 8.4 p -70.01 -52.93 20.2 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.083 0.402 . . . . 6.0 110.923 175.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.8 m -51.47 -45.92 62.93 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.143 0.977 . . . . 6.0 112.529 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -49.7 -39.26 36.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.175 1.79 . . . . 6.0 112.541 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 33.4 tp60 -90.01 -40.37 12.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.893 1.277 . . . . 6.0 112.39 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.3 tt -56.83 -42.33 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.252 1.021 . . . . 6.0 111.838 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 49.2 mt -60.93 -54.23 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.073 1.349 . . . . 6.0 109.67 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.3 m -50.45 -24.99 3.47 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.974 1.472 . . . . 6.0 114.974 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -73.16 -57.91 3.68 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.494 1.043 . . . . 6.0 111.229 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -58.11 -32.34 68.0 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.882 0.873 . . . . 6.0 112.14 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.75 -9.9 53.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.885 1.674 . . . . 6.0 113.798 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.34 -27.99 1.72 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.054 1.872 . . . . 6.0 116.054 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . 0.406 ' SG ' ' NZ ' ' A' ' 433' ' ' LYS . 6.3 t -65.44 168.47 7.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.835 1.303 . . . . 6.0 113.404 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.0 t -163.05 -24.78 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.438 1.895 . . . . 6.0 112.988 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -47.46 116.25 1.38 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.646 1.978 . . . . 6.0 112.141 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -66.21 -7.95 21.42 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.46 15.24 7.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.93 1.292 . . . . 6.0 113.155 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.29 125.82 59.81 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.033 -1.469 . . . . 6.0 107.033 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.72 -41.79 36.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.092 1.861 . . . . 6.0 111.66 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.92 -52.26 18.35 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 124.277 1.031 . . . . 6.0 111.147 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.6 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 71.8 m -69.85 -28.93 66.08 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 115.444 1.646 . . . . 6.0 115.444 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.4 tp -41.61 -53.94 7.02 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 121.164 1.802 . . . . 6.0 115.183 -174.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.81 -35.09 98.96 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 122.068 1.774 . . . . 6.0 113.485 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.47 -43.65 63.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.502 1.501 . . . . 6.0 110.647 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.6 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 46.5 mttt -61.42 -18.77 60.36 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.883 1.673 . . . . 6.0 111.072 175.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -90.14 -45.3 9.21 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.654 1.982 . . . . 6.0 110.623 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -53.75 -32.88 53.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.461 2.304 . . . . 6.0 113.49 178.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 p -136.43 152.19 50.32 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.735 1.614 . . . . 6.0 111.85 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -146.83 168.18 22.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.78 1.232 . . . . 6.0 110.883 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -130.37 -5.56 4.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.752 1.621 . . . . 6.0 113.54 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 127.516 2.327 . . . . 6.0 113.832 178.156 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 N-CA-C 114.785 0.674 . . . . 6.0 114.785 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 37.4 m 52.33 33.78 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.374 1.87 . . . . 6.0 114.308 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -62.07 159.96 13.49 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.251 1.42 . . . . 6.0 113.465 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 28.2 ptm -149.34 167.68 25.44 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.428 1.491 . . . . 6.0 111.906 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.35 153.67 66.33 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.85 1.66 . . . . 6.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.69 174.63 11.45 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.181 2.587 . . . . 6.0 112.062 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -110.2 109.4 58.74 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.67 1.188 . . . . 6.0 109.716 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.65 158.33 16.66 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 122.715 2.276 . . . . 6.0 113.152 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.46 108.89 1.21 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.234 1.813 . . . . 6.0 113.819 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.65 123.84 69.49 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.958 1.703 . . . . 6.0 110.827 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -51.88 125.85 18.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.001 2.467 . . . . 6.0 113.035 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -52.31 -40.01 61.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.541 1.137 . . . . 6.0 113.984 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.97 -27.54 69.47 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.113 0.965 . . . . 6.0 112.624 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 24.1 mt -90.24 -29.25 18.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.57 1.148 . . . . 6.0 112.601 172.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -58.11 -36.94 73.62 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.113 1.324 . . . . 6.0 110.093 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -61.51 -28.73 69.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.208 1.803 . . . . 6.0 113.701 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 410' ' ' SER . 44.5 mt -64.99 129.09 38.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.122 0.874 . . . . 6.0 111.393 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -70.52 109.43 4.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.177 -0.675 . . . . 6.0 109.177 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.1 -6.67 58.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.637 1.347 . . . . 6.0 114.637 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.14 -47.52 98.93 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 120.481 1.491 . . . . 6.0 113.782 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.94 -30.73 77.18 Favored 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 121.49 1.568 . . . . 6.0 112.253 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 27.5 mtt -67.23 -16.9 64.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.977 1.311 . . . . 6.0 113.738 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -52.11 -23.3 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.303 1.223 . . . . 6.0 114.303 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 18.4 pt -66.53 -28.74 44.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.443 0.697 . . . . 6.0 112.459 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.92 -11.38 53.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.082 1.753 . . . . 6.0 114.595 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -49.27 -23.72 1.5 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 117.548 2.425 . . . . 6.0 117.548 -173.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -140.63 34.38 1.82 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.09 1.356 . . . . 6.0 111.52 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 3.7 m -131.29 19.69 4.84 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.373 1.62 . . . . 6.0 115.373 -173.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.82 154.86 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.134 0.974 . . . . 6.0 112.351 -177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -126.11 84.86 2.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.966 2.107 . . . . 6.0 108.556 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.442 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -44.85 -42.25 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.332 1.853 . . . . 6.0 113.321 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 41.5 mt-10 -86.74 -19.91 28.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 6.0 115.625 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -94.76 -25.03 16.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.438 1.273 . . . . 6.0 114.438 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -44.2 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.735 1.214 . . . . 6.0 111.677 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 30.9 tpp -58.75 137.69 86.74 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.896 1.679 . . . . 6.0 114.151 -173.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.3 3.07 4.38 Favored 'Trans proline' 0 CA--C 1.548 1.208 0 C-N-CA 123.441 2.76 . . . . 6.0 113.437 175.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 62.81 -27.14 0.07 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 130.103 3.361 . . . . 6.0 117.29 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -55.75 -40.93 81.67 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 118.62 2.208 . . . . 6.0 118.62 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' B' ' 823' ' ' LEU . 11.1 m-20 -150.38 118.01 3.53 Favored Pre-proline 0 N--CA 1.479 1.011 0 CA-C-N 120.065 1.933 . . . . 6.0 114.927 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . 0.412 ' HG2' ' H ' ' B' ' 822' ' ' LEU . 49.9 Cg_endo -81.21 -90.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.28 0 C-N-CA 124.884 3.722 . . . . 6.0 115.866 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . 0.412 ' H ' ' HG2' ' B' ' 821' ' ' PRO . 1.3 mm? -64.63 -0.7 1.5 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.209 1.804 . . . . 6.0 115.399 -172.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . 0.604 ' N ' HD12 ' B' ' 823' ' ' LEU . 5.1 mp -74.02 -5.09 39.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.06 2.144 . . . . 6.0 111.638 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -41.72 -31.46 0.3 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 129.016 2.926 . . . . 6.0 114.964 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -43.22 -37.46 3.27 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.769 1.652 . . . . 6.0 113.543 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -132.31 -13.14 3.09 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.027 1.331 . . . . 6.0 113.528 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.64 -19.67 63.61 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.769 1.168 . . . . 6.0 113.802 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 12.4 t -154.96 163.85 39.71 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.537 1.135 . . . . 6.0 112.424 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 6.7 m 22.1 81.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 128.859 2.864 . . . . 6.0 115.229 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.04 172.44 10.06 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.75 1.759 . . . . 6.0 115.75 -176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.33 -35.3 65.04 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.411 -1.43 . . . . 6.0 113.568 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.92 -27.12 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.458 -0.776 . . . . 6.0 111.754 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -36.03 60.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 127.25 2.22 . . . . 6.0 113.502 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 15.9 m -109.63 -1.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 6.0 112.947 -175.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 3.9 t 72.7 159.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.219 2.608 . . . . 6.0 114.529 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -145.86 73.58 13.58 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 126.134 1.774 . . . . 6.0 109.989 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.83 153.38 19.9 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.689 3.593 . . . . 6.0 114.243 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 125.073 1.349 . . . . 6.0 112.431 179.105 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.976 0 N-CA-C 113.772 1.027 . . . . 6.0 113.772 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 6.6 t -81.39 162.77 23.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.853 1.261 . . . . 6.0 112.433 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -179.77 55.39 0.08 OUTLIER Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.41 -1.216 . . . . 6.0 115.476 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -62.44 -24.35 75.5 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.301 2.667 . . . . 6.0 112.987 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.8 p -68.22 -10.6 55.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.279 1.832 . . . . 6.0 112.965 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -139.27 25.84 2.43 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.476 1.911 . . . . 6.0 113.009 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.2 107.29 0.59 Allowed Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 125.152 1.381 . . . . 6.0 113.92 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.24 -41.83 69.52 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.439 3.426 . . . . 6.0 115.045 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.95 -47.41 71.71 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.474 -0.766 . . . . 6.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -60.4 -47.21 87.05 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.79 0.436 . . . . 6.0 110.275 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -45.54 52.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.238 1.415 . . . . 6.0 111.4 176.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -67.52 -24.35 65.55 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.023 1.12 . . . . 6.0 114.023 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 807' ' ' ARG . 67.8 mt -75.67 -51.84 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.183 1.356 . . . . 6.0 112.378 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -38.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.063 0.847 . . . . 6.0 110.585 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -53.56 -52.91 58.22 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.049 0.84 . . . . 6.0 112.594 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -66.58 -40.74 89.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.154 -0.927 . . . . 6.0 112.91 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -64.22 -43.66 94.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.136 1.334 . . . . 6.0 111.049 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.18 -53.33 58.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.834 0.854 . . . . 6.0 110.695 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.44 HG21 HG23 ' B' ' 812' ' ' ILE . 29.3 t -62.19 -40.12 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 112.909 0.707 . . . . 6.0 112.909 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 381' ' ' LEU . 12.1 mt -60.04 -40.49 89.57 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.612 0.642 . . . . 6.0 111.84 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.64 -45.35 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.786 0.721 . . . . 6.0 110.559 175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.3 -44.65 80.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.608 0.763 . . . . 6.0 111.098 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -63.02 -55.19 27.77 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.22 0.464 . . . . 6.0 110.901 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.38 -36.46 63.91 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.426 1.269 . . . . 6.0 114.426 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.38 -57.97 10.5 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.027 0.83 . . . . 6.0 110.509 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -41.31 68.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.936 1.295 . . . . 6.0 110.637 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.29 -36.73 82.15 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 122.075 -0.391 . . . . 6.0 111.715 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -39.61 83.9 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.741 -1.224 . . . . 6.0 108.557 175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -45.21 81.32 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.709 -1.244 . . . . 6.0 110.807 172.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -64.83 -35.27 80.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.228 1.011 . . . . 6.0 112.676 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.71 -41.78 99.31 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.973 0.806 . . . . 6.0 110.715 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -67.7 -32.73 73.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.025 0.93 . . . . 6.0 112.272 176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -72.74 -9.94 59.22 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.44 1.496 . . . . 6.0 114.561 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -122.22 164.89 17.05 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.528 1.531 . . . . 6.0 112.669 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -35.44 54.41 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.712 0.672 . . . . 6.0 114.148 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -157.92 145.06 18.1 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.966 1.306 . . . . 6.0 111.532 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 90.9 t -143.44 138.53 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.818 2.047 . . . . 6.0 107.303 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -13.08 6.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.781 1.4 . . . . 6.0 114.781 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -161.24 167.86 25.2 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.915 1.286 . . . . 6.0 112.895 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 48.5 t -144.52 153.55 41.97 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.161 2.185 . . . . 6.0 109.504 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 47.8 m -68.81 -20.38 64.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.553 1.316 . . . . 6.0 114.553 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.4 OUTLIER -80.37 122.05 82.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 119.421 1.01 . . . . 6.0 112.328 -178.819 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 381' ' ' LEU . 62.4 Cg_exo -45.5 -25.24 2.13 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 126.261 4.641 . . . . 6.0 118.291 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.38 17.82 4.43 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.047 1.339 . . . . 6.0 114.435 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 4.7 t -53.81 -51.4 63.61 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.085 0.857 . . . . 6.0 110.887 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -38.21 74.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.511 1.524 . . . . 6.0 113.365 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 38.1 m -63.49 -50.39 69.83 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.285 1.034 . . . . 6.0 109.457 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 30.3 mmt -65.73 -42.77 90.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.102 1.361 . . . . 6.0 112.657 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.91 -42.79 85.48 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.352 0.978 . . . . 6.0 110.926 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.8 -39.92 91.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.412 0.685 . . . . 6.0 112.057 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.25 -46.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.031 0.932 . . . . 6.0 110.737 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.13 -46.71 86.0 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.659 1.184 . . . . 6.0 111.27 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.95 -42.26 89.39 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.779 -0.576 . . . . 6.0 111.04 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -60.05 -53.67 55.01 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.62 0.645 . . . . 6.0 109.672 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 64.8 mtp -52.57 -41.68 63.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.239 1.416 . . . . 6.0 112.4 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 5.3 m -72.22 -3.83 25.86 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.593 1.557 . . . . 6.0 113.613 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -126.65 -2.55 6.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.117 1.767 . . . . 6.0 112.055 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.511 ' CB ' HH22 ' A' ' 412' ' ' ARG . 11.1 t -90.02 161.42 15.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.894 2.478 . . . . 6.0 109.849 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -138.0 0.59 2.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.625 1.57 . . . . 6.0 113.056 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.27 38.01 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.624 1.342 . . . . 6.0 114.624 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 53.15 -137.73 36.75 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.868 1.223 . . . . 6.0 114.056 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -71.77 13.91 0.24 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.642 1.577 . . . . 6.0 114.095 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.84 10.73 5.55 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.832 1.653 . . . . 6.0 114.163 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 35.2 t -58.0 150.04 21.72 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 122.041 0.924 . . . . 6.0 112.938 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -78.1 -20.36 52.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.186 1.394 . . . . 6.0 112.868 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.02 118.05 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 119.326 0.966 . . . . 6.0 108.801 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.22 -42.8 20.9 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.542 2.053 . . . . 6.0 116.542 -173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -89.95 -21.97 22.18 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.73 -70.57 0.17 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.162 1.385 . . . . 6.0 113.807 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.04 69.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.478 -0.764 . . . . 6.0 112.297 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.477 ' HA ' HD22 ' B' ' 798' ' ' LEU . 54.8 m -64.28 -49.51 71.55 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.25 0.62 . . . . 6.0 111.068 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -60.26 -43.11 96.45 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.402 1.481 . . . . 6.0 112.173 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.511 HH22 ' CB ' ' A' ' 397' ' ' CYS . 57.3 mtt85 -52.42 -48.85 65.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.018 0.927 . . . . 6.0 110.881 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.68 -44.08 71.21 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.157 0.983 . . . . 6.0 112.292 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.99 -44.21 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.302 -0.874 . . . . 6.0 113.345 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.61 -43.07 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.695 1.198 . . . . 6.0 109.35 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.9 m -59.27 -27.28 65.68 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -67.69 -52.33 39.05 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.022 1.283 . . . . 6.0 110.868 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.79 -33.83 70.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.368 1.067 . . . . 6.0 112.4 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -65.29 -12.66 53.92 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.721 1.378 . . . . 6.0 114.721 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -128.23 -30.24 2.42 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.551 1.686 . . . . 6.0 115.551 -175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 15.8 t -69.51 143.64 53.39 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.743 1.156 . . . . 6.0 113.379 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 82.5 p -138.61 -6.85 1.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.427 1.891 . . . . 6.0 113.134 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -63.21 116.23 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.439 1.896 . . . . 6.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -65.55 -9.1 23.57 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.47 1.656 . . . . 6.0 115.47 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -124.1 14.23 9.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.785 1.234 . . . . 6.0 113.846 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.6 126.76 76.57 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 106.799 -1.556 . . . . 6.0 106.799 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -64.41 -38.62 32.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.049 1.833 . . . . 6.0 112.747 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.49 -47.65 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 118.682 -0.675 . . . . 6.0 110.252 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.531 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 72.5 m -70.0 -30.35 67.66 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.726 1.38 . . . . 6.0 114.726 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -38.37 -57.44 1.84 Allowed Pre-proline 0 N--CA 1.478 0.956 0 CA-C-N 121.052 1.751 . . . . 6.0 114.474 -175.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.2 -35.09 93.31 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 121.761 1.641 . . . . 6.0 113.579 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.26 -40.96 74.07 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.329 1.422 . . . . 6.0 110.667 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.531 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 41.3 mttt -61.89 -34.66 76.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.549 1.54 . . . . 6.0 109.551 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -69.17 -51.92 33.3 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.137 0.881 . . . . 6.0 110.007 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -52.4 -23.14 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.778 2.031 . . . . 6.0 114.593 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 38.2 p -121.13 6.78 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 114.866 1.432 . . . . 6.0 114.866 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -122.39 -9.8 8.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.016 0.927 . . . . 6.0 113.19 175.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -57.36 -36.24 70.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.973 0.909 . . . . 6.0 110.565 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 23.9 ttm105 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 129.415 3.086 . . . . 6.0 114.742 172.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 N-CA-C 114.704 0.641 . . . . 6.0 114.704 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 32.7 t -149.97 160.79 43.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.741 1.616 . . . . 6.0 111.775 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -130.82 10.69 5.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.378 1.871 . . . . 6.0 111.68 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -109.49 -3.18 17.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.457 1.503 . . . . 6.0 113.931 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.47 150.13 46.58 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 126.424 1.89 . . . . 6.0 110.956 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -82.37 25.61 0.66 Allowed 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.616 3.544 . . . . 6.0 114.677 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -130.36 123.64 20.66 Favored Pre-proline 0 CA--C 1.546 0.794 0 C-N-CA 126.439 1.896 . . . . 6.0 112.48 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -59.39 162.3 14.98 Favored 'Trans proline' 0 CA--C 1.551 1.356 0 C-N-CA 123.596 2.864 . . . . 6.0 114.07 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -62.23 112.57 2.45 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.007 2.123 . . . . 6.0 114.178 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 tt -59.22 123.42 69.77 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 125.646 1.579 . . . . 6.0 111.268 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -51.92 125.46 17.22 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.388 2.725 . . . . 6.0 113.643 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -48.13 -41.31 26.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.218 1.807 . . . . 6.0 114.611 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.16 -25.46 64.38 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.41 1.084 . . . . 6.0 113.328 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 25.8 mt -90.05 -26.94 20.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.265 1.026 . . . . 6.0 112.056 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -56.28 -36.51 68.69 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.706 1.139 . . . . 6.0 112.015 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -72.73 -11.78 60.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 6.0 114.478 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 410' ' ' SER . 27.3 mt -70.49 138.47 51.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.577 1.08 . . . . 6.0 111.113 177.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -74.06 103.07 4.4 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.457 0.703 . . . . 6.0 110.308 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 2.3 p -87.09 -10.69 52.25 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.651 1.181 . . . . 6.0 114.071 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.94 -47.65 98.51 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 120.245 1.384 . . . . 6.0 113.681 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.48 -23.12 23.88 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.142 1.895 . . . . 6.0 111.475 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 29.7 mtt -67.54 -16.44 64.19 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.313 1.045 . . . . 6.0 113.333 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.04 -22.11 9.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.898 1.444 . . . . 6.0 114.898 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 22.1 pt -63.63 -28.99 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.122 0.874 . . . . 6.0 111.808 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.89 -13.63 50.29 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.902 1.681 . . . . 6.0 114.142 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . 0.414 ' HB2' HD21 ' A' ' 352' ' ' LEU . 16.6 ttp85 -47.01 -28.27 1.59 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.206 2.299 . . . . 6.0 117.206 -172.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -141.31 33.52 1.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.445 1.498 . . . . 6.0 112.116 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 382' ' ' PRO . 7.5 m -126.61 19.94 7.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.151 1.537 . . . . 6.0 115.151 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 3.6 t -143.56 157.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.175 0.99 . . . . 6.0 112.419 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -123.05 82.75 2.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.862 2.065 . . . . 6.0 108.693 175.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 358' ' ' VAL . 1.6 mt -47.63 -38.46 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.573 1.549 . . . . 6.0 112.46 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 76.6 mt-10 -89.67 -19.8 24.41 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.588 1.699 . . . . 6.0 115.588 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -100.19 -20.89 15.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.108 1.522 . . . . 6.0 115.108 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -42.68 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.513 1.125 . . . . 6.0 111.705 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . 0.426 ' HA ' ' HD3' ' B' ' 817' ' ' PRO . 22.9 tpp -61.09 139.9 94.23 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.269 1.827 . . . . 6.0 115.824 -171.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 816' ' ' MET . 31.2 Cg_exo -60.29 -8.01 7.75 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 124.34 3.36 . . . . 6.0 116.127 174.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 66.2 t30 54.5 53.4 10.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.03 2.132 . . . . 6.0 115.429 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -110.2 -68.54 0.59 Allowed Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.452 1.025 . . . . 6.0 113.652 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -158.88 142.66 11.04 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.567 1.547 . . . . 6.0 111.562 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -83.55 -43.68 0.07 OUTLIER 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.397 2.064 . . . . 6.0 113.348 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.23 -23.25 65.49 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.704 1.202 . . . . 6.0 112.792 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.26 33.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.743 2.817 . . . . 6.0 111.263 173.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.33 17.66 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.895 1.278 . . . . 6.0 114.317 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -63.58 -12.17 45.32 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.537 1.065 . . . . 6.0 114.523 175.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -137.49 20.21 2.92 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.664 2.385 . . . . 6.0 111.677 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -130.14 -154.28 0.62 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.021 0.928 . . . . 6.0 111.249 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . 0.324 9.0 t 47.01 -130.89 1.38 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.849 1.66 . . . . 6.0 111.874 -176.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.04 151.0 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.311 1.414 . . . . 6.0 113.763 -175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -142.47 -98.88 0.13 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.623 1.169 . . . . 6.0 112.094 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.08 -25.57 67.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 119.952 -1.718 . . . . 6.0 113.114 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.13 -8.87 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.25 1.82 . . . . 6.0 114.782 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 -26.18 0.77 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.99 1.848 . . . . 6.0 115.99 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.56 -37.16 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -170.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 80.0 p -162.8 175.39 11.33 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 6.0 113.464 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.63 133.74 86.01 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 124.212 1.005 . . . . 6.0 111.494 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.18 -21.52 9.53 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 124.463 3.442 . . . . 6.0 117.834 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.832 1.253 . . . . 6.0 112.29 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 112.69 0.626 . . . . 6.0 112.69 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 4.8 t -75.74 -4.7 41.9 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.044 -1.035 . . . . 6.0 113.58 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 57.39 55.67 29.17 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.434 1.492 . . . . 6.0 114.822 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.22 -23.19 72.74 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.177 2.584 . . . . 6.0 113.772 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 16.5 p -97.46 5.88 49.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.598 1.959 . . . . 6.0 113.107 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -129.82 -33.62 1.79 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.63 1.344 . . . . 6.0 114.63 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 24.9 t0 20.78 83.88 0.1 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 129.795 3.238 . . . . 6.0 115.621 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.18 -42.38 33.18 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.855 3.703 . . . . 6.0 115.022 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.424 ' CD ' ' HE ' ' B' ' 807' ' ' ARG . 6.1 tp10 -67.33 -48.28 67.99 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.08 0.952 . . . . 6.0 111.839 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -64.64 -44.11 91.54 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.52 -0.738 . . . . 6.0 110.867 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -54.49 -43.7 72.01 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.548 1.539 . . . . 6.0 110.573 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -62.46 -47.36 84.36 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.071 0.948 . . . . 6.0 110.611 173.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.23 -47.96 81.88 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -43.25 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.323 1.42 . . . . 6.0 110.988 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -53.85 -46.72 71.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.166 0.894 . . . . 6.0 112.553 175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.28 -47.58 83.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.056 0.943 . . . . 6.0 111.672 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.41 -43.23 98.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.553 1.07 . . . . 6.0 110.822 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.74 -56.72 14.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 6.0 110.439 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.428 HG21 HG23 ' B' ' 812' ' ' ILE . 24.4 t -62.26 -38.79 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 113.389 0.885 . . . . 6.0 113.389 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 381' ' ' LEU . 11.9 mt -60.42 -40.53 91.37 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.112 0.869 . . . . 6.0 111.152 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 23.5 mt -65.01 -44.51 88.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.741 0.701 . . . . 6.0 110.428 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 78.9 mt -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.795 0.838 . . . . 6.0 111.457 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -66.65 -56.73 9.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.7 0.4 . . . . 6.0 110.279 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -51.82 -41.69 61.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.572 1.549 . . . . 6.0 114.785 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -61.58 -52.86 62.67 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.41 1.005 . . . . 6.0 110.863 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -61.73 -35.46 78.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.288 0.635 . . . . 6.0 111.769 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.39 -37.78 88.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.221 1.009 . . . . 6.0 110.939 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -68.03 -35.55 78.46 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.963 -1.086 . . . . 6.0 109.536 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -63.47 -43.41 97.41 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.677 -1.264 . . . . 6.0 110.777 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 -60.44 -40.03 89.66 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.265 1.026 . . . . 6.0 110.987 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.1 -48.4 73.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.093 0.957 . . . . 6.0 111.244 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -57.86 -28.82 64.5 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.822 1.249 . . . . 6.0 113.156 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.45 -10.27 54.21 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 114.108 1.151 . . . . 6.0 114.108 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -130.52 -42.33 1.17 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.405 1.482 . . . . 6.0 113.152 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.95 38.22 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 126.145 1.831 . . . . 6.0 115.247 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -139.46 22.55 2.53 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.0 1.4 . . . . 6.0 113.53 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.58 144.39 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 120.765 -1.209 . . . . 6.0 112.37 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.79 156.05 25.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.094 0.958 . . . . 6.0 110.026 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.5 151.62 19.87 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.85 1.056 . . . . 6.0 113.85 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 7.2 p -73.38 -87.65 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.969 2.507 . . . . 6.0 112.726 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 85.3 p -169.33 -13.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.436 1.894 . . . . 6.0 115.011 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.627 HD13 ' HD2' ' A' ' 382' ' ' PRO . 0.5 OUTLIER -63.32 122.72 77.46 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 120.079 1.308 . . . . 6.0 112.958 -177.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.627 ' HD2' HD13 ' A' ' 381' ' ' LEU . 63.7 Cg_exo -46.09 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.354 0.835 1 C-N-CA 125.899 4.399 . . . . 6.0 118.161 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -131.5 23.04 4.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.676 1.191 . . . . 6.0 113.649 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.31 -47.86 68.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.828 0.851 . . . . 6.0 111.72 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.99 77.04 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.436 1.094 . . . . 6.0 112.919 176.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 61.1 m -63.22 -50.54 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.775 1.23 . . . . 6.0 108.963 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 31.0 mmt -64.69 -45.02 88.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.624 1.169 . . . . 6.0 112.681 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -57.13 -44.19 83.11 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.315 0.961 . . . . 6.0 111.32 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.57 -40.53 92.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.372 0.669 . . . . 6.0 112.143 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.03 -45.44 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.104 0.962 . . . . 6.0 110.844 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.36 -46.95 84.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.524 1.13 . . . . 6.0 111.295 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.08 -42.97 86.7 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.845 -0.534 . . . . 6.0 111.127 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -60.29 -52.57 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.223 0.609 . . . . 6.0 110.142 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 73.4 mtp -53.76 -37.58 63.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.32 1.448 . . . . 6.0 112.789 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 6.9 m -71.61 1.44 6.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.571 1.549 . . . . 6.0 113.608 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -130.0 -28.69 2.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.139 1.776 . . . . 6.0 111.488 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.426 ' CB ' HH22 ' A' ' 412' ' ' ARG . 43.1 t -66.46 140.67 58.04 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.743 2.017 . . . . 6.0 111.571 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.37 5.04 11.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.426 1.491 . . . . 6.0 112.972 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.72 -5.59 48.67 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.066 1.136 . . . . 6.0 114.066 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 57.04 -87.34 0.01 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 127.061 2.267 . . . . 6.0 115.52 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -124.88 18.18 8.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.368 1.467 . . . . 6.0 113.472 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -127.99 15.96 6.81 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.799 1.64 . . . . 6.0 113.606 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -63.67 161.03 15.68 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.114 1.366 . . . . 6.0 113.856 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.47 -21.95 32.71 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.733 1.613 . . . . 6.0 111.918 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 71.1 t -79.75 115.51 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.408 -0.96 . . . . 6.0 108.408 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.56 -41.18 66.2 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.437 1.643 . . . . 6.0 115.437 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -83.13 -21.43 33.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 6.5 t -61.32 -68.2 0.34 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.206 1.366 . . . . 6.0 112.832 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.63 76.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.349 0.87 . . . . 6.0 113.349 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . 0.486 ' HA ' HD22 ' B' ' 798' ' ' LEU . 28.4 p -64.84 -52.7 55.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.954 0.343 . . . . 6.0 110.474 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.2 m -54.37 -44.98 72.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.579 1.152 . . . . 6.0 112.523 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.426 HH22 ' CB ' ' A' ' 397' ' ' CYS . 1.9 ttm180 -57.5 -37.89 73.71 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 6.0 112.232 178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . 0.417 ' HB3' HD21 ' B' ' 798' ' ' LEU . 47.3 tp60 -76.03 -44.69 38.06 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.743 1.217 . . . . 6.0 112.306 174.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -44.21 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.167 1.387 . . . . 6.0 113.824 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.01 -44.73 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.973 1.309 . . . . 6.0 110.684 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 71.9 m -60.58 -21.4 62.57 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.658 1.725 . . . . 6.0 115.658 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -68.44 -55.56 11.45 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.539 1.518 . . . . 6.0 110.737 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -57.76 -32.02 67.07 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.017 1.327 . . . . 6.0 113.07 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.41 -12.53 61.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.835 1.42 . . . . 6.0 114.835 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -129.61 -30.93 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.466 1.654 . . . . 6.0 115.466 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.5 t -69.02 141.18 54.93 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.496 1.044 . . . . 6.0 112.971 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 64.7 p -134.5 -5.67 2.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.108 1.763 . . . . 6.0 113.413 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -62.48 118.81 8.05 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.75 1.62 . . . . 6.0 110.963 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -67.67 -8.81 37.98 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.349 1.611 . . . . 6.0 115.349 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -125.61 15.65 8.16 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.051 1.34 . . . . 6.0 113.317 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.85 127.62 68.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 107.692 -1.225 . . . . 6.0 107.692 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -61.3 -39.35 58.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 121.939 1.759 . . . . 6.0 112.055 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.12 -52.13 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.376 1.071 . . . . 6.0 111.582 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.401 ' CB ' ' HZ2' ' A' ' 433' ' ' LYS . 87.9 m -70.28 -29.05 65.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 115.277 1.584 . . . . 6.0 115.277 -178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 69.7 tp -42.48 -53.8 8.84 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 121.112 1.778 . . . . 6.0 115.042 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.01 -36.04 98.33 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.166 1.809 . . . . 6.0 113.203 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.81 -41.95 64.37 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.607 1.549 . . . . 6.0 111.478 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.401 ' HZ2' ' CB ' ' A' ' 429' ' ' CYS . 42.6 mttt -62.13 -30.99 71.41 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.533 1.533 . . . . 6.0 109.741 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -77.33 -46.16 23.82 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.002 1.321 . . . . 6.0 110.547 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' B' ' 813' ' ' GLU . . . -54.94 -23.99 21.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.543 1.937 . . . . 6.0 113.387 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' B' ' 818' ' ' ASN . 80.1 p -109.93 11.26 24.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.918 1.687 . . . . 6.0 114.463 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -146.74 23.8 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.158 1.783 . . . . 6.0 111.57 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -74.33 136.16 42.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.61 1.564 . . . . 6.0 112.052 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 125.718 1.607 . . . . 6.0 112.298 178.739 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 782' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.388 0 CA-C-O 119.581 -0.566 . . . . 6.0 114.513 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 783' ' ' SER . . . . . . . . . . . . . 13.1 m -44.33 -32.6 1.36 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.256 2.222 . . . . 6.0 115.705 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 784' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -66.26 -15.51 63.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.189 1.395 . . . . 6.0 114.617 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 785' ' ' MET . . . . . . . . . . . . . 15.1 tpt -137.1 -24.16 1.11 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.789 1.774 . . . . 6.0 115.789 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 786' ' ' VAL . . . . . . . . . . . . . 16.9 m -144.12 143.54 22.93 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.137 1.375 . . . . 6.0 113.137 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 787' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -74.74 139.86 25.53 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.766 2.311 . . . . 6.0 110.169 176.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 788' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.01 112.28 2.5 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.762 0.825 . . . . 6.0 111.225 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 789' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.57 162.1 10.96 Favored 'Trans proline' 0 CA--C 1.55 1.297 0 C-N-CA 123.314 2.676 . . . . 6.0 114.251 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 790' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.22 109.5 1.14 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.743 2.017 . . . . 6.0 113.215 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 791' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' B' ' 792' ' ' PRO . 10.8 tp -61.56 139.29 95.11 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.994 1.317 . . . . 6.0 112.718 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 792' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' B' ' 791' ' ' LEU . 71.1 Cg_endo -69.62 121.14 7.86 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.758 2.972 . . . . 6.0 112.99 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 793' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -51.12 -36.64 41.62 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.072 1.349 . . . . 6.0 114.51 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 794' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.4 -31.69 73.01 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.615 -0.678 . . . . 6.0 112.725 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 795' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.98 -28.14 19.32 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.551 0.74 . . . . 6.0 112.861 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 796' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -54.79 -31.32 58.81 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.829 1.195 . . . . 6.0 112.766 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.49 -13.43 61.42 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.057 1.343 . . . . 6.0 114.061 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 798' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 410' ' ' SER . 52.5 mt -68.67 131.75 45.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.651 1.114 . . . . 6.0 111.377 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 799' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -72.33 111.93 7.96 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.141 -1.059 . . . . 6.0 108.141 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 800' ' ' THR . . . . . . . . . . . . . 1.2 p -89.42 -6.56 56.44 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.94 1.459 . . . . 6.0 114.94 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -57.65 -43.66 98.96 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.89 1.223 . . . . 6.0 112.969 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 802' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.59 -37.92 66.0 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.216 1.944 . . . . 6.0 112.062 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 803' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -17.07 60.96 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.788 1.033 . . . . 6.0 113.788 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 804' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -53.52 -24.13 12.45 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.288 1.404 . . . . 6.0 113.923 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 805' ' ' ILE . . . . . . . . . . . . . 19.5 pt -65.57 -28.4 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.315 0.961 . . . . 6.0 112.089 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 806' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -86.57 -10.69 53.44 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.427 1.891 . . . . 6.0 114.544 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 807' ' ' ARG . . . . . 0.424 ' HE ' ' CD ' ' A' ' 348' ' ' GLU . 4.7 ttt-85 -48.16 -24.8 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 117.833 2.531 . . . . 6.0 117.833 -173.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 808' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -140.95 35.48 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.86 1.264 . . . . 6.0 111.668 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 809' ' ' SER . . . . . . . . . . . . . 4.3 m -131.73 19.87 4.65 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.509 1.67 . . . . 6.0 115.509 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 810' ' ' VAL . . . . . . . . . . . . . 1.6 t -143.6 152.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.752 0.821 . . . . 6.0 112.237 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 811' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -123.21 85.36 2.41 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.711 2.004 . . . . 6.0 108.408 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 812' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 358' ' ' VAL . 1.4 mt -46.13 -39.72 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.102 1.761 . . . . 6.0 112.839 -173.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 813' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 435' ' ' ALA . 45.2 mt-10 -86.45 -19.89 28.95 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.924 1.824 . . . . 6.0 115.924 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 814' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.43 -24.77 17.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.536 1.31 . . . . 6.0 114.536 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 815' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -40.45 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.705 1.202 . . . . 6.0 112.388 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 816' ' ' MET . . . . . . . . . . . . . 15.4 tpp -62.23 142.51 95.8 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 6.0 113.843 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 817' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.21 2.46 3.76 Favored 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 123.573 2.849 . . . . 6.0 114.389 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 818' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 436' ' ' SER . 63.8 t30 44.73 71.38 0.26 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.136 2.574 . . . . 6.0 115.893 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 819' ' ' GLY . . . . . . . . . . . . . . . -134.11 -58.37 0.07 OUTLIER Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.297 0.951 . . . . 6.0 112.859 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.44 155.82 19.36 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.923 1.689 . . . . 6.0 111.071 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 821' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -79.68 -27.79 3.82 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 121.388 1.392 . . . . 6.0 110.508 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 822' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.69 -9.62 51.39 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.341 1.856 . . . . 6.0 113.106 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 823' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -7.51 4.64 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 129.729 3.212 . . . . 6.0 112.386 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 824' ' ' ALA . . . . . . . . . . . . . . . -44.81 -28.85 0.69 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.868 2.467 . . . . 6.0 115.076 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 825' ' ' GLY . . . . . . . . . . . . . . . -55.92 -25.82 46.36 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 124.411 1.005 . . . . 6.0 114.151 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 826' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -127.01 -23.43 3.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.409 1.883 . . . . 6.0 112.679 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 827' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -75.77 -17.6 59.83 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.876 1.27 . . . . 6.0 113.818 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 828' ' ' THR . . . . . . . . . . . . . 14.3 t -146.03 -160.83 1.2 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.475 1.51 . . . . 6.0 111.608 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 829' ' ' VAL . . . . . . . . . . . . . 5.5 m -133.01 152.32 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.987 1.715 . . . . 6.0 115.567 -170.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 830' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -145.01 -86.82 0.12 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.296 1.038 . . . . 6.0 112.503 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 831' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.85 19.21 0.15 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.29 1.436 . . . . 6.0 113.76 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 832' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.92 5.76 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.135 1.774 . . . . 6.0 113.925 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 833' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -147.4 -22.98 0.39 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.666 1.728 . . . . 6.0 115.666 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 834' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.62 -21.13 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 116.386 1.995 . . . . 6.0 116.386 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 835' ' ' SER . . . . . . . . . . . . . 8.3 t -159.02 179.3 9.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.864 1.266 . . . . 6.0 111.289 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 836' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -52.02 150.99 7.15 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 126.505 1.922 . . . . 6.0 114.595 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 837' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.49 129.86 17.51 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.458 2.105 . . . . 6.0 110.049 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 838' ' ' SER . . . . . . . . . . . . . 71.9 m . . . . . 0 N--CA 1.477 0.884 0 C-N-CA 124.678 1.191 . . . . 6.0 111.826 -178.65 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_