data_2n3a_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 2n3a _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.503 2.191 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -54.11 -57.89 9.38 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.513 0.725 . . . . 25.0 111.693 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.5 m -63.69 -25.15 68.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.69 0.757 . . . . 25.0 112.342 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -72.33 -41.74 66.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.87 -35.67 74.87 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.227 -0.286 . . . . 50.0 110.227 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.29 -44.61 84.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.822 -0.351 . . . . 50.0 111.168 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -61.66 -48.52 80.45 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.698 -0.401 . . . . 50.0 110.292 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.92 -44.48 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.722 0.296 . . . . 50.0 110.656 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.34 -38.79 90.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.55 -0.295 . . . . 50.0 111.036 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.68 85.73 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.99 -26.59 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.292 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.38 -50.94 78.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 50.0 109.68 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -70.7 -27.06 63.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.6 -0.687 . . . . 50.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -75.18 -40.72 59.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.786 0.661 . . . . 50.0 112.786 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 24.2 m -68.99 -31.39 70.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.041 0.386 . . . . 50.0 112.041 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.1 mt -97.53 23.06 8.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.132 1.16 . . . . 50.0 114.132 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.49 142.51 50.17 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 17.3 pt -68.35 -26.18 33.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 115.887 1.81 . . . . 50.0 115.887 -171.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.99 -39.09 72.64 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -154.99 73.74 0.89 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.96 123.62 21.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.035 -0.984 . . . . 50.0 113.159 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -98.54 100.2 11.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.252 1.025 . . . . 25.0 109.86 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.93 -46.76 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.244 -1.344 . . . . 50.0 111.659 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.88 -38.61 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.266 -0.574 . . . . 50.0 112.516 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.0 -37.46 74.32 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.286 0.565 . . . . 50.0 110.167 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.73 -43.64 92.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.359 -0.382 . . . . 50.0 111.595 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.63 -42.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 109.892 -0.41 . . . . 50.0 109.892 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.23 -43.63 95.88 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.819 0.343 . . . . 50.0 111.032 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.26 98.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.276 0.56 . . . . 25.0 110.422 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.16 -38.41 85.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.704 -0.622 . . . . 50.0 110.794 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -74.14 -29.85 62.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.181 0.437 . . . . 50.0 112.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.15 -40.86 98.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.39 -39.48 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.85 68.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 22.3 t -81.75 -21.93 37.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.058 0.456 . . . . 50.0 111.085 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.86 144.08 43.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.462 0.648 . . . . 50.0 111.547 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -77.82 60.66 2.31 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.887 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.03 114.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.982 -0.748 . . . . 50.0 108.982 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.3 p -77.43 159.21 29.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -63.67 -24.54 67.82 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 111.005 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.55 -33.12 66.59 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 122.049 -0.407 . . . . 25.0 110.314 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.93 -39.35 79.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.637 -0.875 . . . . 50.0 108.637 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.54 80.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.03 -36.91 85.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.7 0.286 . . . . 25.0 111.751 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.19 -26.16 55.89 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.075 0.464 . . . . 25.0 111.532 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -119.01 47.78 1.6 Allowed 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.7 m -67.63 -19.69 65.24 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.502 0.668 . . . . 25.0 110.685 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -58.78 -38.47 78.61 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.069 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -66.85 -33.03 74.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.401 0.62 . . . . 50.0 110.083 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 21.0 mm -72.48 -35.04 50.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 108.305 -0.998 . . . . 50.0 108.305 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -65.63 -39.81 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.8 m -63.33 -43.56 97.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.807 -0.558 . . . . 25.0 111.082 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.63 -38.06 77.26 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.525 0.679 . . . . 50.0 110.448 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.54 -33.67 75.39 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.452 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.95 -47.28 69.07 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 111.279 0.103 . . . . 50.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.44 -17.2 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -174.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -9.03 7.34 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.184 -0.947 . . . . 50.0 113.242 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -84.63 -13.51 51.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.56 109.82 0.44 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.384 -0.599 . . . . 50.0 109.384 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -106.68 -31.12 8.59 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -170.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 31.3 m -71.74 -12.35 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 113.454 0.909 . . . . 75.0 113.454 -172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.4 t -148.12 120.06 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -80.65 -17.17 52.07 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 114.775 1.398 . . . . 50.0 114.775 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.25 -37.0 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.323 -0.861 . . . . 50.0 110.964 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.4 mt -68.84 -43.15 82.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.459 -0.776 . . . . 50.0 109.583 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.3 -28.14 66.01 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 118.912 -1.115 . . . . 50.0 110.583 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -44.98 67.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.552 0.615 . . . . 50.0 110.293 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -65.01 -40.52 95.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.816 0.817 . . . . 25.0 109.188 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -68.27 -41.59 80.83 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.896 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 96.7 m -68.22 -37.64 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.3 ttp -57.31 -54.11 50.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.956 0.408 . . . . 25.0 110.581 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.44 -44.49 91.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 50.0 110.891 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.93 -44.22 91.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.692 0.282 . . . . 25.0 111.538 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -66.79 -36.38 82.26 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 122.367 -0.208 . . . . 50.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -67.59 -46.25 73.15 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.018 0.199 . . . . 50.0 111.161 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 114.355 1.243 . . . . 50.0 114.355 -176.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.053 -1.03 . . . . 25.0 110.337 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 59.8 p -69.5 -27.95 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.966 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -48.19 68.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.699 -0.852 . . . . 50.0 108.699 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.67 -41.74 92.12 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.304 0.378 . . . . 50.0 110.692 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.96 -37.21 86.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.227 -0.189 . . . . 50.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.55 -43.07 95.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.445 -0.502 . . . . 50.0 110.658 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.76 -42.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.82 -44.07 86.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.015 -0.428 . . . . 50.0 110.213 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.27 90.45 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.702 0.287 . . . . 25.0 110.964 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.94 -39.12 93.02 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.121 -0.326 . . . . 50.0 110.121 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.505 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 78.8 mt -66.98 -42.95 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.211 -0.662 . . . . 50.0 109.211 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.96 -23.69 63.8 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.584 0.587 . . . . 50.0 112.584 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -98.09 -28.13 13.89 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.156 0.798 . . . . 50.0 113.156 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.505 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 72.7 p -70.93 -30.2 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.7 mt -103.47 45.68 0.95 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.954 0.407 . . . . 50.0 111.002 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -98.87 162.42 13.1 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.979 0.419 . . . . 50.0 111.992 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.99 -16.82 17.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.88 -39.96 87.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.452 0.644 . . . . 25.0 111.969 -171.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -177.54 95.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.84 118.62 16.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 -171.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -100.18 93.23 5.6 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 122.39 1.091 . . . . 25.0 111.462 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.7 -43.11 86.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.312 -1.313 . . . . 50.0 111.045 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -65.68 -46.19 80.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.747 -0.596 . . . . 50.0 111.616 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -59.76 -33.53 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.923 0.342 . . . . 50.0 111.923 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.02 -43.27 88.1 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.453 -0.499 . . . . 50.0 110.492 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.26 -43.03 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.403 -0.592 . . . . 50.0 109.403 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.99 -42.26 93.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.278 0.561 . . . . 50.0 110.783 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.89 92.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.84 -36.27 77.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.188 -0.32 . . . . 50.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.94 -39.55 69.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.922 0.391 . . . . 50.0 110.896 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.51 -42.62 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.229 0.538 . . . . 50.0 110.693 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.33 -31.87 66.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.956 -0.465 . . . . 50.0 111.077 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.06 68.15 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 60.6 p -79.36 -15.91 57.13 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.88 0.371 . . . . 50.0 111.306 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.73 131.19 34.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.04 0.924 . . . . 50.0 111.739 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -101.45 134.9 43.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.83 159.11 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 50.0 110.683 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 73.0 p -82.24 162.83 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 58.4 mtt -64.14 -26.75 68.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.25 -36.31 82.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.941 -0.474 . . . . 25.0 111.293 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.977 -0.749 . . . . 50.0 108.977 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 25.0 110.41 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.25 -42.49 68.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.188 -0.32 . . . . 25.0 111.117 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -67.21 -35.97 80.71 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.959 -0.463 . . . . 25.0 111.722 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -119.33 50.31 1.25 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.704 0.764 . . . . 50.0 111.145 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 28.3 m -69.51 -19.3 63.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -58.4 -32.03 68.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.594 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -73.16 -33.22 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.876 -0.787 . . . . 50.0 108.876 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.89 -39.08 79.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.645 -1.243 . . . . 50.0 107.645 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 40.9 m -62.96 -41.21 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.291 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -44.38 91.56 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.317 -0.239 . . . . 25.0 111.128 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.91 -38.66 82.96 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.367 0.603 . . . . 50.0 109.895 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -64.86 -35.05 79.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 50.0 111.927 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -65.96 -32.02 73.26 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.605 -0.684 . . . . 50.0 111.804 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.48 -13.58 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -55.27 -13.38 1.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.634 1.346 . . . . 50.0 114.634 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.72 51.06 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.973 -0.454 . . . . 50.0 111.591 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -75.82 71.4 2.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.605 0.595 . . . . 50.0 112.605 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.67 -0.34 42.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.271 0.558 . . . . 25.0 111.148 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.65 -31.43 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.401 -0.962 . . . . 50.0 108.401 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.4 t -144.14 120.02 10.61 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.828 0.823 . . . . 25.0 110.43 172.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.48 -25.51 66.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.813 -1.085 . . . . 50.0 110.402 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.53 -45.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 122.044 -0.41 . . . . 50.0 110.177 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.76 -42.78 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.4 ttp -59.18 -42.12 90.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.217 0.451 . . . . 50.0 112.217 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.04 -47.58 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.846 0.355 . . . . 50.0 111.386 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.38 -45.27 91.88 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.543 -0.463 . . . . 25.0 110.683 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.2 p -64.96 -36.69 85.19 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.46 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 80.4 m -67.4 -41.33 85.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.726 0.298 . . . . 25.0 110.377 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -61.69 -47.82 83.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.192 -0.299 . . . . 25.0 110.192 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.72 -39.36 93.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.61 0.243 . . . . 50.0 111.194 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.9 -46.7 87.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.52 -35.34 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.93 -0.481 . . . . 50.0 112.062 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.72 -40.16 91.91 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.313 0.486 . . . . 50.0 112.313 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 115.657 1.725 . . . . 50.0 115.657 -172.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 115.159 1.541 . . . . 25.0 115.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.91 -41.53 98.03 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.622 -1.299 . . . . 25.0 109.551 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.0 m -60.85 -28.08 68.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -45.38 58.28 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.345 -0.983 . . . . 50.0 108.345 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.21 -41.92 97.68 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 116.045 -0.525 . . . . 50.0 109.749 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.65 -42.65 88.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.893 0.331 . . . . 50.0 111.893 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -45.13 95.35 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.751 -0.463 . . . . 50.0 109.751 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.42 -42.54 93.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 110.125 -0.324 . . . . 50.0 110.125 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -64.83 -34.63 78.82 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.618 -0.676 . . . . 50.0 111.368 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.57 96.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.76 -37.77 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 50.0 111.356 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.53 -45.24 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.667 -0.864 . . . . 50.0 108.667 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -66.6 -44.28 82.57 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.347 -0.541 . . . . 50.0 111.298 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.99 -37.29 85.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.375 0.509 . . . . 50.0 112.375 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 31.3 m -71.65 -24.62 61.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.222 1.193 . . . . 50.0 114.222 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 13.3 mt -115.21 18.99 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.952 -0.388 . . . . 50.0 109.952 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 146.63 24.45 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.881 -0.6 . . . . 50.0 112.079 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -26.22 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.618 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.25 -40.04 94.84 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -162.13 59.47 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.116 0.484 . . . . 25.0 110.747 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 134.77 56.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -143.57 114.49 7.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 122.034 0.921 . . . . 25.0 110.262 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.12 -43.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.853 -1.067 . . . . 50.0 111.532 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.96 -36.88 69.99 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.167 -0.333 . . . . 50.0 111.089 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.2 -36.46 75.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.071 0.462 . . . . 50.0 110.207 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.3 t -68.55 -41.63 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 50.0 111.718 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.45 -44.83 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 50.0 109.529 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.11 -40.76 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 50.0 110.705 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.7 99.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.216 0.532 . . . . 25.0 110.804 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.94 -37.83 79.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.083 -0.386 . . . . 50.0 110.61 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.6 -30.75 66.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.11 -0.369 . . . . 50.0 111.665 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.21 -35.51 81.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.731 0.777 . . . . 50.0 110.043 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -28.49 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.792 -0.568 . . . . 50.0 109.914 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -80.6 -28.72 37.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 94.4 p -81.58 -24.47 36.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.252 0.549 . . . . 50.0 109.668 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.05 137.84 45.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 174.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -79.42 65.84 4.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.829 0.823 . . . . 25.0 110.124 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.09 114.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.445 -1.317 . . . . 50.0 107.445 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.6 p -76.57 165.11 25.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.794 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -61.5 -28.66 69.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.568 -0.287 . . . . 25.0 111.086 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -70.5 -39.65 74.02 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.031 -0.418 . . . . 25.0 109.905 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.11 -33.83 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.992 -0.683 . . . . 50.0 110.003 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.08 93.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.2 -41.53 94.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.545 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.08 -36.0 81.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.106 0.479 . . . . 25.0 110.086 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -109.56 53.88 0.68 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.878 -0.601 . . . . 50.0 109.508 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 53.2 m -65.73 -21.39 66.52 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.297 1.046 . . . . 25.0 108.24 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.82 -32.96 72.31 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.971 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -30.57 69.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.597 -0.689 . . . . 50.0 109.835 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.2 mm -67.68 -35.74 73.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.105 -1.072 . . . . 50.0 108.105 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.2 m -63.68 -43.13 97.55 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.346 -0.388 . . . . 25.0 110.057 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 58.3 m -60.38 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.225 -0.287 . . . . 25.0 110.225 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.69 -38.67 78.76 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.193 0.521 . . . . 50.0 111.296 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -62.72 -37.13 85.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.046 -0.525 . . . . 50.0 110.859 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.2 -38.09 78.44 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.269 0.47 . . . . 50.0 112.269 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.02 -20.95 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -64.99 -11.66 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.346 -0.846 . . . . 50.0 112.893 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -88.83 -1.22 57.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -71.0 83.71 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.968 0.889 . . . . 50.0 110.945 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.13 -21.01 66.73 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.059 -0.973 . . . . 25.0 112.457 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.94 -26.57 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.767 0.654 . . . . 50.0 112.767 -175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.5 t -138.48 120.08 15.09 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -72.32 -26.39 61.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.358 -0.837 . . . . 50.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.08 -40.35 78.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.489 -0.56 . . . . 50.0 109.489 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -42.19 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.639 -0.663 . . . . 50.0 110.376 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.0 ptp -69.43 -28.53 66.21 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.326 -0.949 . . . . 50.0 111.753 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -43.37 57.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.668 0.667 . . . . 50.0 110.243 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -62.28 -44.22 97.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.552 0.691 . . . . 25.0 110.873 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.9 p -69.74 -35.49 75.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.827 -0.546 . . . . 25.0 112.022 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.7 t -74.02 -27.2 60.83 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.545 -0.722 . . . . 25.0 110.678 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -63.68 -48.05 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.29 -42.51 99.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.959 0.409 . . . . 50.0 110.984 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -58.09 -42.57 85.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.941 -0.392 . . . . 25.0 109.941 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.406 -0.184 . . . . 50.0 111.446 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.18 -42.49 86.21 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.724 0.41 . . . . 50.0 110.477 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 115.121 1.526 . . . . 50.0 115.121 -176.648 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.38 -32.83 74.36 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.699 -1.251 . . . . 25.0 109.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 m -62.53 -31.48 72.26 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.992 -0.443 . . . . 25.0 111.821 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.34 -39.65 78.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.45 -39.69 85.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.338 -0.245 . . . . 50.0 110.338 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.2 -37.49 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.293 -0.255 . . . . 50.0 110.644 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -62.32 -45.34 93.66 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.859 -0.423 . . . . 50.0 109.859 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.89 -41.56 92.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.484 -0.561 . . . . 50.0 109.484 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.07 -39.04 91.06 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.171 -0.331 . . . . 50.0 111.24 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.53 91.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.23 -27.83 69.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.405 0.52 . . . . 50.0 112.405 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.4 mm -62.37 -47.85 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.858 -1.164 . . . . 50.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -65.25 -42.12 93.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 50.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.04 -21.78 66.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 114.248 1.203 . . . . 50.0 114.248 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.8 p -93.03 -19.01 21.99 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.603 1.705 . . . . 50.0 115.603 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.39 30.23 7.21 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.377 0.99 . . . . 50.0 112.771 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -72.41 168.93 17.41 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.716 1.006 . . . . 50.0 113.716 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.1 pt -63.81 -31.92 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.865 -0.607 . . . . 50.0 112.114 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.15 -40.14 96.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -169.28 146.93 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.45 118.56 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.212 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -113.8 87.62 2.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.544 1.164 . . . . 25.0 109.565 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.67 -45.38 90.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.42 -1.264 . . . . 50.0 111.705 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.85 -38.31 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.598 -0.689 . . . . 50.0 111.69 -174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -60.57 -37.91 82.84 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.723 -0.391 . . . . 50.0 110.419 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.52 -39.57 91.97 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.781 -0.368 . . . . 50.0 111.448 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.66 -46.61 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.77 -40.35 97.04 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.997 0.427 . . . . 50.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.03 97.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.772 -0.58 . . . . 25.0 110.848 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.13 -35.12 76.04 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.845 -0.535 . . . . 50.0 109.959 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.35 -40.83 73.82 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.629 0.233 . . . . 50.0 111.629 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.007 0.432 . . . . 50.0 110.528 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.23 -37.24 80.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.999 -0.438 . . . . 50.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.631 -0.258 . . . . 25.0 111.609 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 55.2 m -79.89 -11.39 59.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.46 127.66 42.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.069 0.938 . . . . 50.0 111.32 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.61 127.5 32.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.87 157.35 20.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 69.0 p -84.16 161.62 20.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -26.08 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.132 0.492 . . . . 25.0 109.945 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -70.93 -34.58 71.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.848 -0.532 . . . . 25.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.2 -36.26 81.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.792 -0.447 . . . . 50.0 109.792 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.03 93.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.474 -0.49 . . . . 25.0 109.963 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.47 -39.87 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 25.0 110.915 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -67.05 -23.57 65.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.491 -0.756 . . . . 25.0 110.774 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.37 45.03 1.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 122.747 0.419 . . . . 50.0 110.298 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 96.8 m -66.52 -19.84 65.88 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 122.285 1.041 . . . . 25.0 108.936 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.47 -42.26 87.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.365 -0.834 . . . . 25.0 110.839 173.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -69.56 -33.85 73.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 50.0 109.888 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.85 -35.68 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.996 -0.742 . . . . 50.0 108.996 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 35.8 m -66.87 -38.74 86.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.89 -43.55 95.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.155 -0.34 . . . . 25.0 110.653 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.04 -38.38 79.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.207 0.527 . . . . 50.0 110.977 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.62 -39.11 90.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.083 -0.508 . . . . 50.0 111.018 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -65.49 -44.14 88.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.391 0.515 . . . . 50.0 112.391 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -13.66 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -172.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -67.14 -12.11 59.1 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.092 -1.005 . . . . 50.0 112.56 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -85.47 -11.97 52.98 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.856 -0.527 . . . . 50.0 111.254 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.53 74.86 1.97 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.586 0.708 . . . . 50.0 111.828 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -73.37 -2.06 20.72 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.0 t -66.11 -33.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 50.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.9 t -138.03 117.79 13.17 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.457 -0.777 . . . . 25.0 109.415 173.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.1 -24.87 64.18 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.925 -0.58 . . . . 50.0 110.126 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.95 -41.93 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 50.0 110.029 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.42 -47.44 72.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.065 -0.516 . . . . 50.0 110.762 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.13 -29.86 68.86 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.512 -0.742 . . . . 50.0 111.063 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.71 -45.63 78.13 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.961 -0.462 . . . . 50.0 110.535 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.35 -37.06 86.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 32.4 m -64.34 -40.6 96.21 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 52.6 m -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.042 -0.355 . . . . 25.0 110.042 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 60.4 ttp -59.67 -50.6 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.406 -0.184 . . . . 25.0 110.96 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.31 -41.03 97.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.038 0.447 . . . . 25.0 109.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.516 -0.311 . . . . 50.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -63.54 -41.39 98.45 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.806 -0.179 . . . . 50.0 110.634 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--O 1.219 -0.528 0 N-CA-C 112.708 0.633 . . . . 50.0 112.708 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -50.37 -50.64 50.85 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.024 0.929 . . . . 25.0 113.277 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.5 m -59.53 -29.1 67.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -73.14 -47.89 40.12 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.38 -0.971 . . . . 50.0 108.38 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.29 -40.56 94.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 50.0 111.217 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.28 -42.56 99.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.011 -0.276 . . . . 50.0 111.626 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.27 -45.1 93.05 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.892 -0.323 . . . . 50.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.68 -45.25 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.028 0.381 . . . . 50.0 112.028 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.98 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.427 . . . . 25.0 110.926 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -67.51 -27.23 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.406 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.57 -46.01 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.209 0.458 . . . . 50.0 110.873 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -68.84 -38.27 79.7 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.157 -0.617 . . . . 50.0 111.28 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -70.92 -37.16 72.91 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.308 -0.557 . . . . 50.0 111.435 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.6 p -83.21 1.65 39.67 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 123.011 0.524 . . . . 50.0 112.378 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.84 30.94 2.77 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.323 0.582 . . . . 50.0 109.609 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -65.74 148.78 51.2 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 44.1 pt -86.46 -2.74 8.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.076 0.465 . . . . 50.0 110.711 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.35 -39.94 18.5 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.493 -0.776 . . . . 25.0 111.131 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 47.4 t30 178.32 147.87 0.17 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 101.558 -3.497 . . . . 25.0 101.558 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.95 149.12 33.6 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.509 1.67 . . . . 50.0 115.509 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -94.42 99.68 11.83 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.402 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.31 -47.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.024 0.44 . . . . 50.0 111.439 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -64.77 -39.02 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 50.0 112.834 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.74 -36.09 81.91 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 120.61 -0.436 . . . . 50.0 110.964 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 17.3 t -63.68 -43.16 97.51 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.12 -0.632 . . . . 50.0 109.366 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.8 mt -63.82 -46.22 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -64.2 -42.28 96.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.754 0.311 . . . . 50.0 111.641 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.16 98.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.48 0.657 . . . . 25.0 110.315 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.45 -34.6 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.326 -0.397 . . . . 50.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -73.1 -33.53 65.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.052 0.453 . . . . 50.0 111.48 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.3 -40.92 97.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.606 0.717 . . . . 50.0 109.129 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -27.03 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.702 -0.624 . . . . 50.0 111.017 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.27 -34.71 63.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.425 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 50.9 m -79.7 -24.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 50.0 111.562 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.23 131.09 41.56 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.528 0.68 . . . . 50.0 110.269 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.85 70.97 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.614 0.721 . . . . 25.0 109.777 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.9 t -81.3 119.82 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 50.0 109.968 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 11.4 p -73.08 143.38 47.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -65.0 -29.11 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.47 -34.58 72.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 25.0 110.219 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -69.14 -41.18 77.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.849 -1.167 . . . . 50.0 107.849 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.62 68.98 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.682 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.47 -36.46 80.5 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 111.757 0.28 . . . . 25.0 111.757 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -75.95 -7.01 53.58 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.919 -0.488 . . . . 25.0 112.076 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -119.04 55.58 0.93 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.455 -1.313 . . . . 50.0 107.455 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.1 m -65.07 -24.67 67.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.65 -40.81 80.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.544 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.8 ttp -68.41 -36.55 79.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 50.0 109.997 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.29 -39.51 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 63.0 m -66.36 -40.06 89.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.836 -0.62 . . . . 25.0 109.712 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 98.8 m -61.87 -47.22 85.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.927 -0.483 . . . . 25.0 110.816 175.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.03 -37.58 80.19 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.457 0.646 . . . . 50.0 110.282 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.88 -37.07 86.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 50.0 111.016 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -72.05 -43.02 65.59 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.181 0.808 . . . . 50.0 113.181 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.14 -29.83 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.351 0.66 . . . . 25.0 112.057 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -57.92 -8.13 0.92 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.724 1.75 . . . . 50.0 115.724 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -80.72 -13.98 58.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.833 -0.542 . . . . 50.0 111.507 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.69 126.74 25.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -106.95 -31.32 8.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.94 -14.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 116.444 2.016 . . . . 75.0 116.444 -164.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 137.56 23.07 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.083 -1.011 . . . . 25.0 112.342 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -68.91 -40.44 79.09 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.21 -41.37 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 114.012 1.116 . . . . 50.0 114.012 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.23 -45.36 75.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 121.767 -0.583 . . . . 50.0 110.958 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.6 ptp -69.43 -30.8 68.81 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 119.933 -0.707 . . . . 50.0 110.219 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.57 -51.04 55.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.005 -0.434 . . . . 50.0 111.408 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.89 -42.17 99.68 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.687 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 48.2 p -66.54 -35.99 81.58 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.149 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 97.8 m -66.47 -41.58 88.8 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 122.013 -0.429 . . . . 25.0 110.612 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 37.8 ttp -60.5 -49.0 79.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.02 -40.44 94.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.641 0.258 . . . . 50.0 111.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.34 -49.37 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.92 -31.56 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.268 -0.573 . . . . 50.0 111.957 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.03 -40.81 77.41 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.912 0.387 . . . . 50.0 110.315 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 113.435 0.902 . . . . 50.0 113.435 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.512 2.63 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -64.93 -39.96 94.3 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 121.098 -1.001 . . . . 25.0 110.099 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.1 p -65.5 -32.58 74.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.844 0.354 . . . . 25.0 111.344 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.53 -44.05 68.34 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 108.987 -0.746 . . . . 50.0 108.987 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.63 -41.83 99.25 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.665 -0.414 . . . . 50.0 110.568 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.86 -42.0 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.646 0.26 . . . . 50.0 111.111 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 50.0 110.785 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.14 -41.99 87.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.987 -0.375 . . . . 50.0 109.987 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -61.81 -37.37 84.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.119 0.485 . . . . 50.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.62 91.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.94 -28.35 68.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.644 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.94 -46.59 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 121.715 -0.616 . . . . 50.0 109.414 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -68.82 -39.24 80.12 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.43 -0.508 . . . . 50.0 111.374 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.68 -28.72 67.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 62.6 p -84.06 -15.43 47.5 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 113.173 0.805 . . . . 50.0 113.173 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 20.1 mt -128.0 48.08 2.32 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 118.058 0.39 . . . . 50.0 111.27 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.75 162.67 29.2 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.764 0.711 . . . . 50.0 110.586 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.0 -19.12 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 114.593 1.331 . . . . 50.0 114.593 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -107.96 -40.24 5.3 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.556 1.317 . . . . 25.0 114.556 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -151.51 116.63 5.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.35 153.29 51.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.087 0.773 . . . . 50.0 113.087 -171.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -124.13 107.7 11.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.307 1.051 . . . . 25.0 111.198 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.49 -40.48 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 114.265 -1.334 . . . . 50.0 111.406 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -68.02 -44.48 76.41 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 50.0 111.904 -175.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -61.02 -35.55 77.15 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.526 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.9 t -62.92 -40.55 97.95 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.015 -0.674 . . . . 50.0 110.315 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.92 -45.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.38 -44.21 92.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.399 0.518 . . . . 50.0 112.399 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.81 99.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.276 0.56 . . . . 25.0 110.345 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.2 mt -65.83 -37.49 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.5 -42.16 68.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.098 -1.041 . . . . 50.0 110.047 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.32 -34.2 74.3 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.8 -29.25 69.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.096 -0.377 . . . . 25.0 110.464 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 28.3 t -78.98 -21.21 47.41 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.93 0.395 . . . . 50.0 111.814 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.05 121.1 17.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.778 0.799 . . . . 50.0 110.334 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -80.77 61.55 4.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.846 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.06 147.9 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.312 -0.995 . . . . 50.0 108.312 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 70.3 p -75.78 162.88 27.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.942 0.401 . . . . 25.0 110.161 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 76.3 mtm -61.53 -33.26 73.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.356 . . . . 25.0 110.812 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -71.71 -30.45 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.318 -0.239 . . . . 25.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.51 -42.5 71.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.58 82.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.917 0.389 . . . . 25.0 110.42 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -63.27 -46.24 87.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.427 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.35 -35.8 71.27 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -88.12 54.02 2.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.597 0.713 . . . . 50.0 109.177 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -20.35 65.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.081 0.943 . . . . 25.0 111.491 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -60.58 -35.95 77.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.046 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.8 ttm -66.2 -37.53 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.32 -40.25 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.105 -0.702 . . . . 50.0 109.105 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.3 m -65.48 -42.25 92.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.795 0.331 . . . . 25.0 110.838 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.0 m -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.553 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.93 -37.26 73.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.286 0.565 . . . . 50.0 111.055 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.65 -38.32 89.81 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.025 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.47 -38.56 77.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.904 -0.498 . . . . 50.0 111.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.92 -20.73 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -59.87 -11.06 4.68 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.306 1.224 . . . . 50.0 114.306 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.96 -11.37 59.58 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 119.386 -0.34 . . . . 50.0 111.872 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.93 72.7 0.41 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.777 1.029 . . . . 50.0 113.777 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.05 -14.19 61.36 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.139 0.976 . . . . 25.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.71 -33.91 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.742 -0.663 . . . . 50.0 111.418 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.3 t -144.31 119.94 10.44 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -66.1 -27.63 68.21 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.995 1.109 . . . . 50.0 113.995 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.98 -35.03 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.851 -0.53 . . . . 50.0 111.491 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.96 -45.14 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.841 -0.537 . . . . 50.0 110.479 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.4 ptm -67.72 -30.06 69.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.354 -0.841 . . . . 50.0 110.262 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -70.31 -47.69 59.99 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.578 -0.701 . . . . 50.0 111.828 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -62.1 -40.88 97.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.928 -0.483 . . . . 25.0 110.519 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.6 p -66.75 -33.86 76.56 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.272 -0.571 . . . . 25.0 110.961 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 46.6 m -66.26 -41.99 89.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.835 -0.54 . . . . 25.0 109.875 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.4 ttp -60.16 -46.95 87.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.495 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.95 -38.85 89.68 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.948 -0.301 . . . . 50.0 110.766 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.79 -47.77 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.53 -34.82 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.868 -0.52 . . . . 50.0 112.401 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -57.32 -46.71 82.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.619 0.368 . . . . 50.0 110.116 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--N 1.32 -0.705 0 N-CA-C 112.755 0.65 . . . . 50.0 112.755 -177.634 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 123.327 1.536 . . . . 25.0 114.827 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -62.07 -38.96 90.79 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 120.59 -1.319 . . . . 25.0 111.872 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -30.42 71.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.325 0.584 . . . . 25.0 111.657 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -41.25 73.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.815 -0.809 . . . . 50.0 108.815 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.27 -32.85 72.31 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.46 -42.09 98.23 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.295 -0.261 . . . . 50.0 110.295 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -62.4 -42.94 99.81 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.921 0.391 . . . . 50.0 110.673 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.02 -44.82 88.09 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.635 -0.506 . . . . 50.0 109.635 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -61.0 -40.09 92.17 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.06 -0.4 . . . . 50.0 110.753 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.95 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.88 -40.57 96.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.115 -0.328 . . . . 50.0 110.115 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.465 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 82.1 mt -65.35 -41.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 121.656 -0.652 . . . . 50.0 110.057 177.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.18 -25.36 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.268 -0.27 . . . . 50.0 111.696 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.37 -36.74 12.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.465 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 69.4 p -67.08 -21.62 65.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.076 1.139 . . . . 50.0 114.076 -172.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 76.1 mt -108.11 29.71 7.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.427 0.529 . . . . 50.0 112.427 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -90.03 154.56 19.72 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.738 0.304 . . . . 50.0 111.475 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -42.53 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 116.461 2.023 . . . . 50.0 116.461 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.58 -39.98 92.24 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -168.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -153.97 68.77 0.77 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.94 119.41 12.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 50.0 112.077 -174.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -106.65 93.84 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.147 0.975 . . . . 25.0 110.96 -176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.78 -45.64 79.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.443 -1.253 . . . . 50.0 111.593 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.7 -43.66 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.06 0.457 . . . . 50.0 111.497 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -60.82 -36.81 80.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.04 0.385 . . . . 50.0 112.04 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -66.06 -41.05 91.3 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.363 -0.535 . . . . 50.0 110.099 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.28 -44.96 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.463 -0.569 . . . . 50.0 109.463 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.84 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.865 0.364 . . . . 50.0 110.972 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.0 97.91 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.208 0.527 . . . . 25.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.2 mt -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.387 -0.37 . . . . 50.0 110.724 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.23 -35.92 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.093 -0.38 . . . . 50.0 110.806 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.42 -38.61 81.08 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.632 -0.667 . . . . 50.0 109.442 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -34.67 77.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 50.0 110.889 178.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.97 -28.13 60.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.3 t -79.85 -32.54 40.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 50.0 110.209 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 53.4 mt -69.51 137.11 52.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.226 0.536 . . . . 50.0 111.259 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.16 134.25 42.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.18 125.24 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.277 -2.12 . . . . 50.0 105.277 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.5 p -80.15 155.65 27.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -63.9 -26.08 68.44 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.121 0.486 . . . . 25.0 110.008 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -64.88 -38.43 90.94 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.906 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.14 -37.15 61.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.857 -0.527 . . . . 50.0 109.611 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.96 73.46 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 121.084 -0.246 . . . . 25.0 110.493 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.58 -39.78 95.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.618 0.247 . . . . 25.0 111.5 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -69.47 -26.43 64.57 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.099 0.476 . . . . 25.0 110.44 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.42 42.92 1.47 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 50.0 109.886 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 81.2 m -67.33 -28.86 68.33 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.16 -36.72 78.2 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.78 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.02 -27.99 66.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.076 0.465 . . . . 50.0 110.017 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 25.3 mm -68.7 -34.6 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.258 -1.016 . . . . 50.0 108.258 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.4 m -65.25 -40.62 94.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.4 m -60.96 -45.48 94.55 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 122.123 -0.361 . . . . 25.0 110.464 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.83 -37.88 80.45 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.168 0.508 . . . . 50.0 110.254 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -65.38 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.429 -0.35 . . . . 50.0 111.094 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.63 -36.57 83.22 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.777 0.288 . . . . 50.0 111.777 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.59 -16.32 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 121.257 0.551 . . . . 25.0 111.971 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.94 -10.95 10.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.093 -1.004 . . . . 50.0 113.357 172.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.03 -13.63 58.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.109 -0.369 . . . . 50.0 110.699 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -76.51 76.61 3.22 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.041 0.924 . . . . 50.0 110.527 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -77.2 -6.74 54.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.928 -0.578 . . . . 25.0 112.505 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.67 -37.86 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.537 -0.301 . . . . 50.0 110.307 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.6 m -138.6 119.99 14.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -68.25 -26.08 65.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.029 0.751 . . . . 50.0 113.029 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.39 -39.08 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 O-C-N 121.982 -0.449 . . . . 50.0 111.057 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.73 -44.97 93.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.46 -0.496 . . . . 50.0 110.3 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.6 ptp -70.63 -28.19 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.025 -0.67 . . . . 50.0 111.299 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.36 -46.26 70.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.066 0.394 . . . . 50.0 109.985 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.91 -41.52 98.01 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.401 0.62 . . . . 25.0 109.63 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 47.8 m -64.6 -37.87 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.999 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 53.4 m -71.61 -36.59 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.172 -0.33 . . . . 25.0 111.112 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 26.8 ttt -57.98 -49.15 77.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.24 -44.19 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 50.0 111.698 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -55.56 -45.16 77.34 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.245 -0.285 . . . . 25.0 110.609 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -72.05 -35.32 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.169 0.433 . . . . 50.0 112.169 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -58.88 -45.36 90.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 112.918 0.71 . . . . 50.0 112.918 -177.82 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.508 2.454 0 N-CA-C 115.08 1.511 . . . . 25.0 115.08 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -66.21 -39.03 89.33 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.312 -0.868 . . . . 25.0 110.3 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.3 p -59.65 -29.84 68.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.089 0.471 . . . . 25.0 111.372 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -69.03 -44.47 72.63 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.43 -0.581 . . . . 50.0 109.43 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.51 -33.07 68.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.728 -0.214 . . . . 50.0 111.324 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.52 -41.41 98.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.596 -0.52 . . . . 50.0 109.596 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -63.15 -43.63 97.8 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.522 -0.308 . . . . 50.0 110.262 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.66 -48.39 84.91 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.408 -0.59 . . . . 50.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.44 -36.76 76.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.15 0.5 . . . . 50.0 110.571 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.67 95.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.52 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.863 -0.523 . . . . 50.0 109.689 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.5 -49.93 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.776 -0.577 . . . . 50.0 109.725 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.16 -24.84 64.12 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -87.38 -30.56 20.67 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.966 1.099 . . . . 50.0 113.966 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.2 p -75.92 -22.76 55.7 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.676 0.991 . . . . 50.0 113.676 -173.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 41.9 mt -111.79 42.5 1.72 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.896 0.379 . . . . 50.0 110.55 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -86.64 160.04 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.993 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -46.09 95.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 114.952 -1.022 . . . . 50.0 112.637 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.77 -36.91 81.34 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -152.58 103.01 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 111.337 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.69 115.17 22.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.371 0.605 . . . . 50.0 110.369 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -113.38 91.93 3.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.563 1.173 . . . . 25.0 110.317 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 81.3 t -59.21 -38.79 76.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.121 -1.4 . . . . 50.0 111.052 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -64.48 -46.82 81.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.196 0.443 . . . . 50.0 112.196 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.71 -38.91 86.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 120.966 -0.293 . . . . 50.0 110.941 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.6 -41.36 92.87 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.825 -0.75 . . . . 50.0 110.047 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.58 -45.68 88.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.7 -0.482 . . . . 50.0 109.7 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -60.08 -43.11 95.74 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.924 0.392 . . . . 50.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.77 -37.41 78.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.383 0.611 . . . . 25.0 110.618 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.67 -30.43 52.04 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.89 -0.506 . . . . 50.0 110.582 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.14 -42.76 59.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.099 -0.376 . . . . 50.0 111.76 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.09 -33.22 74.13 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.536 . . . . 50.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.71 -40.67 92.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.708 -0.479 . . . . 50.0 109.708 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.71 74.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.561 0.344 . . . . 25.0 110.986 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.2 m -83.62 -19.37 35.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.362 0.875 . . . . 50.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.96 148.74 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.716 0.769 . . . . 50.0 110.309 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -78.78 58.03 2.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.998 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.93 141.89 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.43 -0.952 . . . . 50.0 108.43 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 46.7 p -109.44 167.13 10.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 121.401 -0.812 . . . . 25.0 111.462 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -58.3 -36.02 72.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.558 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -73.91 -32.24 63.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.678 -0.638 . . . . 25.0 110.882 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -66.12 -39.28 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.227 -1.027 . . . . 50.0 108.227 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.52 87.92 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.282 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.76 -39.96 86.58 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.18 -0.325 . . . . 25.0 111.29 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -74.43 -16.18 60.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -119.66 51.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.067 0.461 . . . . 50.0 110.366 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m -65.21 -29.67 70.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.908 0.861 . . . . 25.0 109.987 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.9 -40.87 94.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.983 -1.008 . . . . 25.0 111.263 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.5 ttp -65.61 -30.65 71.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.214 0.53 . . . . 50.0 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.42 -34.94 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 11.1 m -65.24 -39.65 92.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.231 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 61.0 m -62.3 -42.68 99.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.4 0.28 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.03 -38.68 86.98 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.957 -0.464 . . . . 50.0 110.028 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.23 -36.31 83.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.848 -0.614 . . . . 50.0 111.517 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -60.55 -37.78 82.35 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.073 -0.392 . . . . 50.0 111.471 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.52 -13.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -63.47 -10.55 18.07 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.2 -1.562 . . . . 50.0 112.532 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.61 -10.81 50.37 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.979 0.362 . . . . 50.0 111.979 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -80.25 93.04 5.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -97.19 -8.03 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.35 -43.27 70.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.346 1.029 . . . . 50.0 111.383 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 27.0 t -143.53 120.19 11.14 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.92 -24.83 63.44 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 115.112 1.523 . . . . 50.0 115.112 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.96 -35.78 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.931 -0.48 . . . . 50.0 112.226 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 19.0 mt -71.6 -43.35 71.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.421 -0.799 . . . . 50.0 110.736 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -67.19 -29.68 69.42 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.398 -0.521 . . . . 50.0 110.562 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -46.25 64.65 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.181 -0.324 . . . . 50.0 110.384 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.59 -37.86 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.508 0.67 . . . . 25.0 110.881 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 39.0 p -75.81 -32.75 59.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.7 t -74.35 -28.43 61.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.368 0.985 . . . . 25.0 109.676 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.1 ttp -61.75 -47.9 83.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.59 -38.62 74.05 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.049 -0.523 . . . . 50.0 111.508 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.09 -39.0 84.59 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.67 -0.644 . . . . 25.0 109.533 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.73 -37.66 82.51 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.71 -0.396 . . . . 50.0 111.756 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -60.5 -39.94 89.58 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 122.881 0.473 . . . . 50.0 111.063 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -177.7 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 123.09 1.424 . . . . 25.0 114.446 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.88 -37.21 76.06 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.557 1.143 . . . . 25.0 110.695 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -37.71 86.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.934 0.397 . . . . 25.0 111.162 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -74.24 -37.16 63.86 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.95 -39.16 93.52 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.878 0.37 . . . . 50.0 111.286 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -66.42 -38.17 86.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.659 -0.497 . . . . 50.0 109.659 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -64.12 -42.84 96.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.69 -0.404 . . . . 50.0 110.685 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.65 -41.35 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.629 -0.878 . . . . 50.0 108.629 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -60.81 -41.6 96.0 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.018 0.372 . . . . 50.0 110.614 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.92 85.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 25.0 110.544 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.359 -0.382 . . . . 50.0 111.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.91 -42.87 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.565 -0.902 . . . . 50.0 108.565 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.67 -46.68 78.21 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.875 -0.516 . . . . 50.0 109.849 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -59.12 -34.54 72.16 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.0 m -82.11 -16.64 49.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.548 1.314 . . . . 50.0 114.548 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.55 22.94 10.49 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.153 0.978 . . . . 50.0 110.194 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 151.73 33.8 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 113.969 -1.469 . . . . 50.0 111.833 -176.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.4 pt -72.86 -7.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.794 0.684 . . . . 50.0 111.716 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -81.67 -23.57 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.695 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.0 t30 171.68 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.133 1.373 . . . . 25.0 108.114 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 127.15 34.17 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.475 -0.765 . . . . 50.0 112.56 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -121.7 87.36 2.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.709 1.243 . . . . 25.0 110.931 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.28 -41.93 85.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-N 114.099 -1.409 . . . . 50.0 110.945 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -65.54 -41.21 93.31 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.021 -0.424 . . . . 50.0 110.789 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -64.77 -37.18 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.496 0.188 . . . . 50.0 111.497 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.17 -40.02 96.32 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.257 -0.577 . . . . 50.0 109.93 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.51 -43.3 90.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.41 -37.8 88.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.725 0.239 . . . . 50.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.84 94.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.437 0.637 . . . . 25.0 110.86 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.95 -37.76 79.04 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.717 -0.475 . . . . 50.0 109.717 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.58 -34.73 76.32 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.724 -0.61 . . . . 50.0 111.04 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -61.05 -45.5 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.972 -0.751 . . . . 50.0 108.972 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -37.51 87.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.686 0.755 . . . . 50.0 110.252 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.7 -28.71 67.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.01 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 37.5 m -83.65 -15.09 50.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.42 138.61 31.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.555 0.693 . . . . 50.0 112.077 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -83.77 76.61 9.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 50.8 t -74.8 120.78 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.2 p -68.83 155.7 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.63 -30.38 69.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.787 -0.57 . . . . 25.0 111.161 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.87 -43.57 83.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.226 0.536 . . . . 25.0 109.767 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.78 -37.38 76.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.13 98.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.78 -40.0 94.53 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.683 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.2 -32.44 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.714 -0.616 . . . . 25.0 110.856 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -101.75 43.53 1.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m -65.83 -24.66 66.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.61 -42.58 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.416 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 62.5 ttp -68.11 -28.62 67.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.885 0.85 . . . . 50.0 110.172 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 26.8 mm -69.6 -31.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.7 m -69.98 -37.5 75.76 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.855 -0.528 . . . . 25.0 109.762 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.45 -42.88 99.78 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 122.152 -0.343 . . . . 25.0 110.35 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.38 -37.2 80.02 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.622 0.725 . . . . 50.0 110.451 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -66.36 -34.93 79.07 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.873 -0.517 . . . . 50.0 110.904 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -68.06 -54.28 19.44 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -17.45 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -174.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -64.11 -8.22 11.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.236 0.458 . . . . 50.0 112.236 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -96.97 -12.89 22.77 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.28 90.24 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.245 0.545 . . . . 50.0 110.118 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -76.24 -5.73 48.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.77 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 t -76.28 -31.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.643 -0.708 . . . . 50.0 111.043 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.2 m -139.14 119.15 13.4 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.091 0.948 . . . . 25.0 111.865 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -73.79 -25.34 60.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.364 0.876 . . . . 50.0 113.364 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.53 -38.88 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.483 -0.761 . . . . 50.0 110.087 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.71 -43.7 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 50.0 110.301 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ptm -65.57 -35.92 82.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.604 -0.685 . . . . 50.0 111.35 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.65 -48.63 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.793 -0.567 . . . . 50.0 111.9 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.19 -33.21 74.01 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.134 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 42.5 p -70.78 -33.49 70.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.3 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -67.79 -42.95 80.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 64.6 ttp -58.79 -47.41 84.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.715 0.293 . . . . 25.0 110.61 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.87 -38.45 86.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.744 0.276 . . . . 50.0 111.744 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.61 -39.94 93.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -71.38 -35.27 71.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.576 -0.284 . . . . 50.0 111.475 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.67 -42.58 93.19 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 114.676 1.362 . . . . 50.0 114.676 -179.168 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 N--CA 1.507 2.421 0 N-CA-C 116.205 1.928 . . . . 25.0 116.205 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -62.77 -38.03 89.01 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.629 -1.294 . . . . 25.0 110.042 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 62.8 p -68.09 -26.13 65.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.904 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.92 -37.35 67.25 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.686 -0.857 . . . . 50.0 108.686 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.498 -0.481 . . . . 50.0 109.945 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.97 -36.94 85.6 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.143 0.497 . . . . 50.0 110.844 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -66.29 -42.83 87.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 50.0 111.207 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.54 -38.89 79.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 108.641 -0.874 . . . . 50.0 108.641 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -57.24 -42.13 80.87 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.957 -0.464 . . . . 50.0 110.321 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.86 98.6 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.737 -0.602 . . . . 25.0 110.224 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.54 -31.33 72.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 111.576 0.213 . . . . 50.0 111.576 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.3 mm -58.68 -45.48 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -68.52 -35.59 77.67 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.855 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.99 -32.8 67.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.856 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 82.8 p -72.61 -23.85 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.407 0.891 . . . . 50.0 113.407 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.0 54.55 1.08 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 122.006 0.908 . . . . 50.0 109.427 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.8 163.99 23.99 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.466 -0.788 . . . . 50.0 110.148 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -30.43 8.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 112.395 0.517 . . . . 50.0 112.395 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -77.72 -33.48 53.05 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.803 0.811 . . . . 25.0 111.599 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -166.6 148.2 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.513 -2.773 . . . . 25.0 103.513 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.95 153.15 40.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 118.433 0.56 . . . . 50.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -125.87 113.36 17.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.043 0.925 . . . . 25.0 111.014 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.33 -46.27 96.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.128 -0.942 . . . . 50.0 111.496 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.28 -40.57 90.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.218 -0.29 . . . . 50.0 110.218 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.96 -41.07 77.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.085 0.469 . . . . 50.0 110.552 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.33 -43.62 81.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.609 -0.515 . . . . 50.0 109.609 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.54 -40.18 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.078 -0.342 . . . . 50.0 110.078 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -44.64 88.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.836 0.454 . . . . 50.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.29 99.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.054 0.454 . . . . 25.0 110.803 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.96 -33.42 75.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.248 -0.283 . . . . 50.0 110.376 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.2 -41.97 69.6 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.172 0.51 . . . . 50.0 111.885 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -63.12 -40.16 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.551 . . . . 50.0 110.38 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -35.63 81.36 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.826 -0.546 . . . . 50.0 111.094 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.68 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 51.0 m -82.38 -14.89 54.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.76 152.07 27.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.779 0.799 . . . . 50.0 112.302 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -78.2 57.29 1.82 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.852 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 25.8 t -79.0 104.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.345 0.593 . . . . 50.0 109.849 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.6 p -78.11 163.93 25.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -61.29 -31.72 71.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -72.53 -32.23 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.487 -0.758 . . . . 25.0 110.883 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -70.69 -36.54 73.34 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.57 87.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.62 -37.09 84.95 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.947 0.403 . . . . 25.0 111.437 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.66 -16.76 61.21 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.836 -0.54 . . . . 25.0 111.586 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -113.71 44.74 1.56 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.281 0.632 . . . . 50.0 110.182 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.9 m -64.34 -23.93 67.47 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.798 0.808 . . . . 25.0 109.948 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.68 -47.38 84.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.166 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.8 ttp -66.4 -35.25 79.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 50.0 110.556 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.0 mm -65.59 -37.56 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.7 m -66.32 -37.23 84.9 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.1 m -64.49 -43.72 93.25 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.012 -0.43 . . . . 25.0 110.934 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.41 -37.19 82.57 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.518 0.675 . . . . 50.0 109.885 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.9 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.736 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.38 -36.0 82.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.697 -0.627 . . . . 50.0 111.415 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 7.7 mt -61.93 -13.01 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -59.26 -12.28 5.27 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.066 1.136 . . . . 50.0 114.066 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -13.85 39.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.178 -0.326 . . . . 50.0 111.059 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -78.98 101.4 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.305 -0.628 . . . . 50.0 109.305 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -106.6 -2.53 21.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.16 -38.15 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.505 0.557 . . . . 50.0 112.505 -172.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 6.4 m -127.61 120.09 27.37 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.637 -0.665 . . . . 25.0 109.867 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.86 -35.99 79.91 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 112.561 0.578 . . . . 50.0 112.561 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.19 -36.23 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 121.673 -0.642 . . . . 50.0 111.418 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.32 -48.52 80.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 O-C-N 121.566 -0.709 . . . . 50.0 109.183 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.6 ptm -70.38 -31.69 69.05 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.639 -0.824 . . . . 50.0 112.23 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.74 -40.74 69.17 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.205 0.912 . . . . 50.0 111.352 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.76 -35.01 74.57 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.702 -0.624 . . . . 25.0 110.2 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.2 m -64.77 -41.25 96.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -66.77 -40.41 88.19 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -48.0 83.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.123 0.169 . . . . 25.0 110.802 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.58 -43.89 88.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.598 0.237 . . . . 50.0 110.934 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -60.18 -39.67 87.32 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.634 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -67.16 -46.41 74.11 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 122.071 -0.393 . . . . 50.0 110.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -34.19 64.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.723 0.409 . . . . 50.0 111.216 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -177.037 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.502 2.146 0 CA-C-O 122.655 1.217 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -30.89 71.93 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.287 -1.508 . . . . 25.0 110.188 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.7 m -59.84 -29.23 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.611 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -72.48 -49.84 30.27 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.997 -1.112 . . . . 50.0 107.997 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.27 -40.9 83.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.277 0.473 . . . . 50.0 112.277 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -60.08 -47.15 87.09 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 120.302 -0.559 . . . . 50.0 110.683 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.38 -44.52 87.32 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.32 -0.552 . . . . 50.0 110.92 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.3 -46.95 95.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.82 -36.17 82.32 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.233 -0.292 . . . . 50.0 111.468 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.36 91.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.08 -37.76 86.25 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.571 -0.286 . . . . 50.0 110.449 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.57 -52.74 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -65.41 -37.14 86.04 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 120.716 -0.394 . . . . 50.0 110.922 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.92 -28.07 60.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.789 1.403 . . . . 50.0 114.789 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.2 m -68.34 -30.84 69.89 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.298 1.222 . . . . 50.0 114.298 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 36.3 mt -116.86 45.57 1.82 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.746 0.784 . . . . 50.0 109.485 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -99.25 156.98 16.7 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.852 . . . . 50.0 109.849 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -24.07 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.487 0.66 . . . . 50.0 111.731 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.19 -40.0 78.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -164.12 81.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.75 127.82 32.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.632 0.975 . . . . 50.0 113.632 -174.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -134.55 104.94 6.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.227 1.013 . . . . 25.0 109.694 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.97 -33.39 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 115.127 -0.942 . . . . 50.0 111.427 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.17 -37.89 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.557 0.577 . . . . 50.0 112.557 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -62.04 -36.78 82.62 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.846 -0.342 . . . . 50.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 26.2 t -63.97 -38.01 89.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.711 -0.396 . . . . 50.0 110.387 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.43 -44.78 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 122.032 -0.417 . . . . 50.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.66 -42.11 95.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.928 0.394 . . . . 50.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.06 84.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.464 0.649 . . . . 25.0 110.51 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.42 -34.58 74.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.112 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -40.44 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.941 0.4 . . . . 50.0 111.165 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -62.26 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.638 0.733 . . . . 50.0 110.089 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.54 -26.67 64.61 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 120.964 -1.085 . . . . 50.0 111.572 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.3 69.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.007 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 90.5 p -89.01 -23.44 22.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.164 0.802 . . . . 50.0 113.164 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.64 143.88 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.17 0.804 . . . . 50.0 113.17 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.18 58.54 2.06 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.013 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.66 126.69 38.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 35.1 p -81.09 159.64 24.68 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.05 0.452 . . . . 25.0 109.855 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.5 ptm -64.27 -27.37 69.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.537 -0.727 . . . . 25.0 111.853 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.92 -30.04 58.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 25.0 110.891 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.02 -43.59 74.47 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 107.389 -1.337 . . . . 50.0 107.389 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.03 77.66 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.956 0.408 . . . . 25.0 111.045 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.33 -39.35 90.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.251 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.21 -35.91 30.73 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.875 -0.516 . . . . 25.0 110.819 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -84.92 37.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.459 -0.2 . . . . 50.0 110.459 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 98.7 m -71.39 -23.02 61.8 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.32 -33.57 75.81 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.562 -0.711 . . . . 25.0 111.481 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -67.89 -29.27 68.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.5 -26.06 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.913 -0.492 . . . . 50.0 109.679 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.6 m -65.26 -42.38 93.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.507 -0.746 . . . . 25.0 109.188 173.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 45.1 m -65.25 -41.35 94.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.51 -0.313 . . . . 25.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.78 -46.76 86.52 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.226 0.536 . . . . 50.0 110.208 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -57.86 -31.98 67.21 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -58.14 -38.54 76.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 50.0 110.064 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 4.8 mt -65.73 -13.77 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -62.63 -12.38 22.85 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.372 -1.455 . . . . 50.0 112.471 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -83.02 -19.13 37.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.17 0.588 . . . . 50.0 111.083 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -73.87 110.05 7.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.11 -0.33 . . . . 50.0 110.11 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -100.16 -2.85 33.02 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -2.49 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 115.096 1.517 . . . . 50.0 115.096 -169.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.1 t -147.79 122.58 9.93 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.465 -0.772 . . . . 25.0 111.222 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -68.29 -31.45 70.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.69 -41.81 93.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.95 -0.389 . . . . 50.0 109.95 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.27 -43.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.265 -0.574 . . . . 50.0 110.844 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 ptp -69.94 -32.76 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.499 -0.88 . . . . 50.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.76 -47.53 68.98 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.893 -0.505 . . . . 50.0 111.006 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.15 -44.36 95.73 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.118 -0.364 . . . . 25.0 110.707 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.9 p -66.14 -30.32 70.79 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.34 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 88.5 m -65.28 -39.11 92.15 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.146 0.43 . . . . 25.0 111.059 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -60.37 -46.72 88.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.32 -38.24 84.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.507 0.558 . . . . 50.0 112.507 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.1 -45.15 79.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.88 -42.82 69.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.457 -0.338 . . . . 50.0 111.723 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.25 -37.49 83.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.849 0.356 . . . . 50.0 111.491 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 114.295 1.22 . . . . 50.0 114.295 -173.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.796 1.76 . . . . 25.0 114.933 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.88 -32.71 74.54 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 120.735 -1.228 . . . . 25.0 109.658 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 34.0 p -59.95 -36.42 77.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -72.93 -40.19 65.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.208 -0.597 . . . . 50.0 109.831 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.73 -39.75 95.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.943 -0.392 . . . . 50.0 109.943 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.94 -41.79 96.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.215 -0.303 . . . . 50.0 110.715 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -61.53 -44.69 96.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 120.569 -0.452 . . . . 50.0 110.088 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.5 -47.39 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.323 -0.399 . . . . 50.0 110.106 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.54 -36.53 84.51 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.973 -0.454 . . . . 50.0 111.702 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.58 87.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -64.43 -41.4 96.61 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.197 -0.668 . . . . 50.0 109.197 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.491 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 91.9 mt -64.64 -40.24 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.94 -0.475 . . . . 50.0 110.394 178.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -59.89 -29.2 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.058 0.392 . . . . 50.0 112.058 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -97.0 -33.07 11.69 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.671 0.619 . . . . 50.0 112.671 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.491 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 80.3 p -67.59 -16.29 64.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.381 1.252 . . . . 50.0 114.381 -174.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 68.1 mt -115.47 24.87 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.613 0.968 . . . . 50.0 113.613 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -116.96 161.18 19.78 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 118.129 0.422 . . . . 50.0 110.076 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.8 pt -66.69 -6.07 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 117.514 2.413 . . . . 50.0 117.514 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.41 -39.92 92.5 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.298 0.57 . . . . 25.0 110.021 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -175.74 74.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 105.974 -1.862 . . . . 25.0 105.974 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.68 123.67 19.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.888 -0.597 . . . . 50.0 110.639 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -126.44 100.45 6.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.517 1.151 . . . . 25.0 111.034 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.0 -40.16 79.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 114.232 -1.349 . . . . 50.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -70.75 -42.01 71.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.477 0.917 . . . . 50.0 113.477 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -66.41 -27.51 67.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.818 -0.753 . . . . 50.0 111.043 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.3 t -67.59 -42.41 82.51 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.147 -0.621 . . . . 50.0 109.865 173.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.41 -40.46 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.33 -45.33 84.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.876 0.369 . . . . 50.0 110.91 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.07 94.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.527 . . . . 25.0 111.106 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.7 -29.95 69.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 50.0 110.647 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.38 -39.45 62.71 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.203 0.525 . . . . 50.0 111.212 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -35.53 80.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.229 0.538 . . . . 50.0 110.188 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.74 -36.46 73.15 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.32 -32.46 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 61.0 m -79.49 -17.45 54.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.031 0.443 . . . . 50.0 111.241 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.38 135.29 36.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.478 0.656 . . . . 50.0 109.693 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -79.67 69.58 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.421 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.86 117.43 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.548 -0.908 . . . . 50.0 108.548 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 65.9 p -79.38 163.33 24.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.721 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 21.8 ptp -63.99 -27.05 68.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.741 -0.599 . . . . 25.0 111.252 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -68.19 -38.72 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 25.0 109.856 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.48 -35.62 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.465 -0.569 . . . . 50.0 109.465 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.47 87.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.313 0.578 . . . . 25.0 110.444 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.75 -38.26 90.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 25.0 111.171 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -78.0 -25.25 47.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -121.18 44.97 2.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.308 0.575 . . . . 50.0 110.642 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 45.6 m -64.22 -14.25 54.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.631 0.729 . . . . 25.0 110.646 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -29.47 63.93 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 172.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.85 -27.92 66.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.208 -0.933 . . . . 50.0 110.098 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 34.5 mm -68.77 -38.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.448 -0.945 . . . . 50.0 108.448 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.3 m -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -64.75 -47.26 78.88 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.762 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.72 -35.76 77.17 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.896 0.379 . . . . 50.0 110.891 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.79 -37.86 88.94 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.244 -0.285 . . . . 50.0 111.336 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -69.05 -41.27 77.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.625 -0.261 . . . . 50.0 111.323 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.02 -18.21 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -56.84 -13.96 3.04 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -85.9 -6.3 59.09 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.12 76.29 1.76 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.912 0.863 . . . . 50.0 112.049 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.65 -23.65 66.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.877 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -19.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 113.909 1.077 . . . . 50.0 113.909 -176.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 47.1 t -144.53 119.86 10.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 O-C-N 121.264 -0.897 . . . . 25.0 112.631 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -74.85 -23.84 58.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.669 -0.696 . . . . 50.0 110.449 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.37 -42.9 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.938 -0.764 . . . . 50.0 108.938 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.12 -43.2 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.855 -0.794 . . . . 50.0 108.855 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.2 ttm -58.7 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.722 0.268 . . . . 50.0 111.722 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.23 -45.0 78.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.874 0.324 . . . . 50.0 111.874 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.03 -43.01 99.89 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.701 -0.8 . . . . 25.0 110.97 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 p -67.45 -36.33 80.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.862 -0.524 . . . . 25.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.8 m -68.37 -41.87 79.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 25.0 110.96 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.3 ttp -62.06 -45.99 91.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.12 -36.81 80.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.631 0.253 . . . . 50.0 111.16 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.24 -45.63 90.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -70.35 -31.5 68.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.912 0.338 . . . . 50.0 111.912 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.3 -31.45 71.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.959 0.503 . . . . 50.0 110.859 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 113.874 1.065 . . . . 50.0 113.874 -177.236 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.8 ttp . . . . . 0 N--CA 1.513 2.712 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -62.82 -41.38 99.28 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.162 -0.961 . . . . 25.0 108.98 -176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 18.3 m -71.29 -26.13 62.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.971 -0.456 . . . . 25.0 111.94 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.66 -40.99 72.69 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.826 -0.805 . . . . 50.0 108.826 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.66 -41.47 96.08 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.73 -41.42 81.78 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.423 -0.511 . . . . 50.0 111.67 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.6 96.69 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 122.002 -0.436 . . . . 50.0 110.337 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.96 -42.71 96.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.262 -0.644 . . . . 50.0 109.262 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.38 -41.92 97.89 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.735 -0.603 . . . . 50.0 110.525 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.43 87.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.535 . . . . 25.0 110.164 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.61 -41.85 95.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.147 0.498 . . . . 50.0 110.202 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.429 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 76.0 mt -68.44 -38.54 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.825 -0.547 . . . . 50.0 110.128 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.18 -23.2 67.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.961 -0.563 . . . . 50.0 111.483 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.13 -32.65 10.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.342 0.401 . . . . 50.0 112.059 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.429 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 61.1 p -72.84 -22.4 60.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . 0.431 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 29.8 mt -108.41 26.79 10.05 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 121.171 -0.212 . . . . 50.0 111.568 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -76.46 143.69 40.36 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.025 -0.731 . . . . 50.0 109.025 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 33.0 pt -65.53 -22.61 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.708 1.373 . . . . 50.0 114.708 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.86 -34.31 33.82 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -147.06 62.49 1.18 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.6 OUTLIER -72.3 124.86 25.98 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 122.073 0.94 . . . . 50.0 112.952 -173.356 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -115.5 96.59 5.71 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 122.43 1.11 . . . . 25.0 109.404 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -44.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 114.334 -1.303 . . . . 50.0 111.55 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.47 -40.63 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.659 0.742 . . . . 50.0 112.432 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.67 -28.74 70.11 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.712 -0.618 . . . . 50.0 112.007 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.1 t -71.13 -38.13 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.429 -0.509 . . . . 50.0 111.347 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.28 -42.1 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 108.621 -0.881 . . . . 50.0 108.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.48 -43.12 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.675 0.75 . . . . 50.0 110.204 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.39 80.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 45.1 mt -75.18 -27.78 59.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.491 . . . . 50.0 110.924 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -40.87 48.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.183 0.438 . . . . 50.0 112.183 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -59.35 -41.21 88.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.522 0.677 . . . . 50.0 109.19 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -34.67 74.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 50.0 111.057 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.37 -30.59 70.43 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.137 -0.352 . . . . 25.0 111.073 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.7 t -79.63 -31.99 41.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.879 0.872 . . . . 50.0 112.174 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.17 153.08 44.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.894 1.072 . . . . 50.0 113.894 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.06 75.03 2.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.047 -0.979 . . . . 25.0 110.959 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.28 116.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.2 p -101.21 173.01 6.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.05 -34.58 75.1 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.0 -35.85 80.87 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.975 -0.453 . . . . 25.0 110.856 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.44 -36.21 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.371 -0.831 . . . . 50.0 109.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.04 -34.23 77.6 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.888 -0.508 . . . . 25.0 110.413 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.925 -0.484 . . . . 25.0 110.552 175.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.92 -33.61 75.95 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.642 0.734 . . . . 25.0 110.895 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -124.37 61.89 1.12 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.725 -0.67 . . . . 50.0 110.796 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.9 m -70.08 -20.04 63.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.275 1.036 . . . . 25.0 108.625 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.97 -28.69 70.26 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.169 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.6 ttm -62.39 -41.48 98.68 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.8 -43.12 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.228 -1.027 . . . . 50.0 108.228 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -63.2 -38.66 92.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.554 . . . . 25.0 111.563 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 42.8 m -68.0 -48.4 65.84 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.079 -0.388 . . . . 25.0 110.075 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.47 -38.06 76.78 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.361 0.6 . . . . 50.0 110.628 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -57.76 -33.36 68.41 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.546 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.04 -40.99 52.18 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.068 -0.395 . . . . 50.0 111.895 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.3 mt -65.33 -17.88 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.48 -10.91 13.27 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.912 -1.118 . . . . 50.0 112.467 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -83.7 -14.8 50.86 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 112.693 0.627 . . . . 50.0 112.693 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.43 72.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.549 1.314 . . . . 50.0 114.549 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -73.34 -12.89 60.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.544 0.738 . . . . 25.0 111.494 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.58 -29.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.797 -1.092 . . . . 50.0 110.189 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -144.11 116.37 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.19 -32.77 74.48 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 -172.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.4 -37.21 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.658 0.742 . . . . 50.0 111.578 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.97 -48.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.416 -0.803 . . . . 50.0 109.778 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -68.84 -30.92 69.56 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.153 -1.019 . . . . 50.0 110.577 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.21 -44.49 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.891 0.769 . . . . 50.0 111.635 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -67.1 -39.12 86.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 118.58 0.627 . . . . 25.0 109.997 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 55.5 p -69.34 -35.78 76.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.348 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.1 m -68.83 -39.07 80.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.778 0.717 . . . . 25.0 109.325 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.8 ttp -60.9 -47.53 85.99 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 110.483 -0.191 . . . . 25.0 110.483 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.43 -37.54 83.17 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 122.147 -0.346 . . . . 50.0 111.299 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.77 -42.55 93.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.936 0.398 . . . . 25.0 110.134 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.0 -37.96 72.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.165 -0.334 . . . . 50.0 111.658 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.35 -37.92 73.33 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.258 0.551 . . . . 50.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 112.435 0.531 . . . . 50.0 112.435 -177.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.427 1.64 . . . . 25.0 115.427 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -51.78 -50.6 60.42 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.361 -0.837 . . . . 25.0 112.188 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.7 m -59.76 -30.77 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -73.44 -38.17 65.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.669 -0.644 . . . . 50.0 109.669 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.58 -40.04 92.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.186 -0.672 . . . . 50.0 109.186 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -63.88 -37.24 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.874 0.324 . . . . 50.0 111.874 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -61.53 -43.9 98.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.489 -0.484 . . . . 50.0 110.217 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.22 -40.33 82.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.299 -0.63 . . . . 50.0 109.299 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.086 -0.384 . . . . 50.0 110.548 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.82 95.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.233 -0.284 . . . . 25.0 110.233 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.53 -39.59 91.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.981 0.419 . . . . 50.0 110.427 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.475 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 85.2 mt -65.49 -40.73 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.569 -0.707 . . . . 50.0 109.871 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.8 -38.85 86.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.023 -0.423 . . . . 50.0 110.244 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -78.35 -30.42 48.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.475 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 78.1 p -76.75 -22.51 53.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.855 0.687 . . . . 50.0 112.855 -172.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . 0.44 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.4 mt -114.71 47.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 50.0 110.648 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.07 160.15 15.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.731 0.412 . . . . 50.0 111.87 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 48.9 pt -75.82 -15.57 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.407 0.521 . . . . 50.0 112.407 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.15 -42.64 25.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -163.6 113.39 1.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 104.578 -2.379 . . . . 25.0 104.578 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . 0.44 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.2 tt -100.61 116.04 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.276 0.56 . . . . 50.0 112.265 -174.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -101.27 93.45 5.44 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 122.323 1.058 . . . . 25.0 110.51 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.4 -43.37 82.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.658 -1.155 . . . . 50.0 111.22 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.73 -42.26 86.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.067 -0.395 . . . . 50.0 111.69 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 50.0 111.758 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.75 -41.48 98.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.548 -0.461 . . . . 50.0 110.71 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.5 mt -65.88 -41.76 90.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.37 -46.9 86.53 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.116 0.484 . . . . 50.0 110.913 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.33 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 25.0 111.175 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.11 -36.76 85.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.122 -0.361 . . . . 50.0 110.537 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.19 -37.62 72.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.227 0.454 . . . . 50.0 112.227 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.11 -41.81 93.39 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.083 0.468 . . . . 50.0 110.337 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.45 77.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 50.0 110.327 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.15 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.231 -0.293 . . . . 25.0 111.314 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 26.5 t -79.69 -18.71 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 50.0 111.823 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.38 139.5 47.88 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.919 0.866 . . . . 50.0 113.17 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -83.45 71.1 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.914 -1.039 . . . . 25.0 109.666 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.02 118.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 50.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.7 p -76.4 160.28 29.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.6 ptm -57.27 -33.51 67.7 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.04 -42.59 84.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.186 0.517 . . . . 25.0 110.337 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.27 -34.64 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.828 -0.434 . . . . 50.0 109.828 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.85 89.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 25.0 110.227 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.03 -38.21 66.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.208 0.528 . . . . 25.0 111.326 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -67.04 -36.05 81.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -98.33 67.08 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.91 0.862 . . . . 50.0 110.429 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -22.77 60.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.151 -0.931 . . . . 25.0 111.183 -172.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.26 -29.08 64.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.572 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.936 -1.135 . . . . 50.0 107.936 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.05 -35.05 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.781 -0.645 . . . . 50.0 109.944 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -60.5 -42.93 97.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 22.4 m -62.87 -45.4 92.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 119.548 -0.263 . . . . 25.0 110.984 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.32 -39.17 72.33 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.347 0.594 . . . . 50.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.34 -34.86 79.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 50.0 111.82 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.03 -43.75 61.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.109 0.411 . . . . 50.0 112.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.11 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -10.98 17.84 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.499 -0.75 . . . . 50.0 111.81 176.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -81.03 -12.4 59.35 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 111.973 0.36 . . . . 50.0 111.973 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -67.74 80.46 0.19 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -69.04 -23.36 64.05 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.926 1.29 . . . . 25.0 111.764 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -23.31 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.2 t -145.54 120.07 9.74 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -64.53 -29.89 70.92 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.673 -0.694 . . . . 50.0 110.513 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.44 -40.82 87.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 O-C-N 122.29 -0.256 . . . . 50.0 111.075 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.84 -43.51 82.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.671 -0.643 . . . . 50.0 111.059 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 ptm -69.8 -30.34 67.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 119.759 -0.776 . . . . 50.0 110.535 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -69.68 -46.14 66.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.675 -0.641 . . . . 50.0 110.858 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.32 -45.55 93.96 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 110.389 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 21.7 p -63.36 -38.24 90.37 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.183 -0.607 . . . . 25.0 111.021 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -40.05 88.59 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.087 -0.383 . . . . 25.0 110.39 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -43.37 98.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.319 . . . . 25.0 110.606 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.04 -38.0 81.99 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.173 -0.329 . . . . 50.0 110.239 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.28 -40.39 93.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.335 -0.393 . . . . 50.0 110.547 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.82 -41.12 97.93 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.45 0.167 . . . . 50.0 111.45 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 C-N-CA 120.924 -0.311 . . . . 50.0 111.343 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.67 -31.4 72.4 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.107 -1.62 . . . . 25.0 110.046 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -30.27 69.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.563 . . . . 25.0 111.318 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -68.58 -44.53 74.22 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.352 -0.61 . . . . 50.0 109.352 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.16 -41.63 97.07 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.727 0.299 . . . . 50.0 110.392 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.17 -37.75 86.39 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.902 -0.319 . . . . 50.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.39 -43.96 96.08 Favored 'General case' 0 C--O 1.211 -0.928 0 O-C-N 121.592 -0.693 . . . . 50.0 110.264 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.6 mt -64.4 -41.06 91.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.609 -0.515 . . . . 50.0 109.609 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -60.17 -40.9 91.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.793 -0.567 . . . . 50.0 111.251 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.56 -35.06 76.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 25.0 110.618 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.9 -30.23 71.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 119.447 -0.311 . . . . 50.0 110.372 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.75 -44.6 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -65.51 -40.52 93.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.663 -0.699 . . . . 50.0 110.388 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.74 -31.68 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 50.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 50.8 m -75.01 -22.66 58.37 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 113.216 0.821 . . . . 50.0 113.216 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.84 50.75 1.92 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.625 -0.88 . . . . 50.0 108.625 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -77.5 158.88 29.72 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 123.305 0.642 . . . . 50.0 111.78 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -35.29 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.456 0.539 . . . . 50.0 112.456 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.54 145.01 3.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 103.561 -2.755 . . . . 25.0 103.561 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 pp -145.84 152.55 39.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.922 0.783 . . . . 50.0 111.406 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.28 118.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.499 1.142 . . . . 25.0 112.275 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.35 -41.72 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 113.794 -1.548 . . . . 50.0 110.374 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.85 -39.27 80.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.909 -0.495 . . . . 50.0 111.993 -175.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.605 0.241 . . . . 50.0 110.569 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 16.8 t -66.08 -41.79 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.928 -0.309 . . . . 50.0 110.658 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.87 -43.35 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.47 -44.81 93.37 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 111.73 0.27 . . . . 50.0 111.73 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.19 89.19 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.489 0.662 . . . . 25.0 111.508 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.53 -33.1 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.027 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -33.35 57.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.417 -0.513 . . . . 50.0 112.312 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.72 -44.79 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.931 -0.766 . . . . 50.0 108.931 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -36.05 81.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.106 -0.331 . . . . 50.0 110.106 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.44 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.749 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.4 t -79.93 -23.29 41.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 50.0 112.004 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.47 146.94 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.495 0.664 . . . . 50.0 111.63 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.02 64.18 3.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.326 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.11 143.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.908 -0.775 . . . . 75.0 108.908 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.8 p -111.89 164.67 12.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 25.0 112.154 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 17.4 ttt -59.65 -38.31 81.06 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.218 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.39 -30.04 68.87 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.966 -0.694 . . . . 25.0 111.485 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -71.65 -37.32 70.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.562 -0.903 . . . . 50.0 108.562 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.61 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.9 91.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.96 0.41 . . . . 25.0 111.047 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.2 -25.42 64.32 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.984 -0.447 . . . . 25.0 112.151 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -118.84 44.43 2.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.412 -0.358 . . . . 50.0 110.522 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -63.89 -21.67 66.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.526 1.155 . . . . 25.0 108.613 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.85 -42.78 85.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.538 -0.755 . . . . 25.0 112.27 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -72.31 -25.31 61.52 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.551 -0.718 . . . . 50.0 110.583 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.22 -34.74 68.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 107.474 -1.306 . . . . 50.0 107.474 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -70.32 -38.25 74.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.175 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.4 m -62.1 -42.21 99.0 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.915 -0.491 . . . . 25.0 111.254 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.73 -35.81 75.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.879 0.309 . . . . 50.0 110.324 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.29 -33.85 76.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.744 -0.207 . . . . 50.0 111.038 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -66.59 -38.71 87.59 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.734 -0.604 . . . . 50.0 112.105 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.6 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 -171.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -10.91 30.25 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.175 -0.953 . . . . 50.0 111.549 172.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -80.77 -25.77 37.7 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 119.38 -0.343 . . . . 50.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -69.21 110.17 4.45 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.326 -0.991 . . . . 50.0 108.326 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -106.1 -7.1 18.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.29 1.589 . . . . 25.0 115.29 -172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.93 -30.84 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 50.0 111.022 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -135.79 120.78 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.83 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.686 0.625 . . . . 50.0 112.686 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.83 -32.85 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.585 0.707 . . . . 50.0 110.629 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.92 -47.95 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.862 -0.524 . . . . 50.0 110.243 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -70.01 -30.31 67.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.6 -0.84 . . . . 50.0 111.2 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.81 -41.98 58.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.106 -0.996 . . . . 50.0 111.309 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.47 -36.15 78.57 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.576 -0.703 . . . . 25.0 111.477 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.8 p -67.5 -37.24 82.52 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.944 -0.702 . . . . 25.0 109.981 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -67.84 -39.16 83.88 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -60.33 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.94 -43.73 98.23 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 122.19 -0.319 . . . . 50.0 111.372 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.45 -44.52 80.57 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.463 0.649 . . . . 25.0 110.55 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -70.11 -35.77 74.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.864 -0.523 . . . . 50.0 111.906 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -64.38 -34.19 77.58 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 50.0 111.875 176.555 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.04 -46.82 75.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.97 0.908 . . . . 25.0 109.504 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 p -60.99 -29.35 69.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.53 -39.16 62.53 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 121.396 -0.815 . . . . 50.0 109.842 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.608 -0.515 . . . . 75.0 109.608 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -62.82 -40.54 97.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.745 0.307 . . . . 50.0 111.009 176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -63.21 -43.66 97.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 50.0 111.076 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.57 -41.27 88.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.567 -0.531 . . . . 50.0 109.567 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -57.77 -42.03 83.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.088 -0.383 . . . . 50.0 111.508 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.88 97.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 25.0 110.351 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -63.65 -35.8 81.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.408 . . . . 50.0 110.734 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.458 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 92.8 mt -66.45 -39.14 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.047 -0.408 . . . . 50.0 110.185 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -65.17 -37.61 87.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.054 -0.658 . . . . 50.0 110.258 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -76.26 -34.26 59.14 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.458 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 88.4 p -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.515 0.932 . . . . 50.0 113.515 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 83.0 mt -135.28 30.86 3.23 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.984 0.421 . . . . 50.0 111.309 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -68.04 163.05 23.19 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 120.668 0.271 . . . . 50.0 110.7 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 36.5 pt -93.31 -7.62 10.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 116.722 -0.217 . . . . 50.0 110.827 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.77 -33.1 25.09 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.573 0.702 . . . . 25.0 111.983 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 11.6 t30 175.21 144.37 0.06 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 102.309 -3.219 . . . . 25.0 102.309 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.79 154.9 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.76 1.392 . . . . 50.0 114.76 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -104.47 101.6 11.27 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.65 -0.704 . . . . 25.0 110.732 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.36 -44.54 75.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.382 -0.372 . . . . 50.0 111.044 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -66.05 -37.48 85.94 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.072 0.767 . . . . 50.0 113.072 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.64 -34.54 78.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.318 0.508 . . . . 50.0 110.249 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.91 -43.43 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 50.0 110.193 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.76 -43.8 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.687 -0.486 . . . . 50.0 109.687 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.43 -39.08 93.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.087 0.47 . . . . 50.0 111.138 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.964 0.411 . . . . 25.0 110.428 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.65 -42.52 91.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.274 -0.421 . . . . 50.0 110.218 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.33 -39.48 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 50.0 111.858 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.05 -42.08 93.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.796 0.331 . . . . 50.0 110.492 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -35.9 77.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.045 0.45 . . . . 50.0 110.543 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.27 75.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -12.76 59.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 136.71 52.97 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.292 1.044 . . . . 50.0 113.492 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -83.24 60.06 5.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.34 -1.3 . . . . 25.0 108.858 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.62 139.81 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.388 -0.824 . . . . 50.0 109.679 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 60.5 p -81.01 162.3 23.88 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.114 0.483 . . . . 25.0 110.375 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.6 ttt -61.48 -41.24 96.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.601 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.25 -34.72 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.154 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -68.78 -39.15 80.34 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.167 -0.613 . . . . 50.0 110.26 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.08 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -64.26 -33.49 75.94 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 122.454 0.301 . . . . 25.0 111.682 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -75.72 -28.94 58.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -101.57 46.96 0.92 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.043 0.386 . . . . 50.0 112.043 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m -64.36 -27.41 69.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.95 0.881 . . . . 25.0 109.414 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.99 -33.37 74.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.392 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -64.69 -34.4 78.21 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.601 -0.687 . . . . 50.0 109.486 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.9 mm -67.79 -35.04 71.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -63.52 -40.28 96.62 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.125 -0.36 . . . . 25.0 110.034 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 9.3 m -59.63 -49.16 78.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.52 -46.68 88.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.12 0.486 . . . . 50.0 110.618 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -49.79 -40.97 43.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.312 0.856 . . . . 50.0 113.312 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -61.63 -44.36 97.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.003 0.742 . . . . 50.0 113.003 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 23.4 mt -54.41 -18.05 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -57.59 -21.81 41.19 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.907 -1.12 . . . . 50.0 112.287 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -82.43 -7.75 59.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.521 0.934 . . . . 50.0 113.521 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -74.73 72.34 2.0 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 106.826 -1.546 . . . . 50.0 106.826 166.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -72.65 -2.03 18.51 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.788 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.11 -29.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.518 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 46.5 t -124.88 120.15 30.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -72.95 -30.24 63.71 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.402 -0.817 . . . . 50.0 111.1 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.66 -39.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.681 -0.637 . . . . 50.0 110.705 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.42 -43.79 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.465 -0.494 . . . . 50.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.82 -27.86 64.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 119.398 -0.921 . . . . 50.0 111.113 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.61 -45.92 77.57 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.619 -0.676 . . . . 50.0 110.218 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.59 -38.95 92.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 50.3 m -60.67 -35.94 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.226 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 417' ' ' THR . . . . . 0.471 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 38.4 m -68.17 -37.03 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.979 -0.45 . . . . 25.0 111.449 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.1 -42.74 99.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.41 -37.69 74.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 119.308 -0.377 . . . . 50.0 111.657 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 24.4 m-85 -57.48 -42.66 83.09 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 50.0 112.636 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.62 -36.04 82.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 50.0 110.558 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 -177.179 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -62.73 -36.85 84.33 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.792 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.2 t -60.1 -42.1 93.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.948 0.404 . . . . 25.0 111.419 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -66.27 -41.39 89.95 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.915 -0.714 . . . . 50.0 109.267 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.88 -40.35 92.67 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.299 -0.41 . . . . 50.0 111.006 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -59.42 -41.37 89.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.213 -0.304 . . . . 50.0 111.511 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -62.9 -44.46 96.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.14 -43.67 98.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.359 -0.608 . . . . 50.0 109.359 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -61.07 -38.05 84.85 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.975 0.416 . . . . 50.0 111.204 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.69 80.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.882 0.372 . . . . 25.0 110.022 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.73 -41.91 90.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 107.621 -1.252 . . . . 50.0 107.621 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -73.21 -43.3 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.91 -0.494 . . . . 50.0 111.413 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.17 -41.06 97.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.598 0.592 . . . . 50.0 112.598 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.9 p -73.35 -11.39 60.47 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 64.0 mt -114.56 15.83 17.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.823 0.344 . . . . 50.0 111.363 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -77.77 142.88 38.38 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 107.896 -1.15 . . . . 50.0 107.896 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 34.4 pt -68.27 -12.87 16.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.761 0.791 . . . . 50.0 111.473 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.07 -36.1 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.609 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -168.42 65.75 0.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.634 -0.876 . . . . 25.0 108.634 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 125.19 26.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.442 . . . . 50.0 112.178 -173.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -128.42 103.29 7.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.292 1.044 . . . . 25.0 110.575 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.43 -39.96 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 114.653 -1.158 . . . . 50.0 111.002 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.82 -43.97 82.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 120.831 0.348 . . . . 50.0 110.384 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.22 -31.73 72.74 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.44 -0.504 . . . . 50.0 111.982 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.9 t -62.75 -43.26 99.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -43.77 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.462 -0.336 . . . . 50.0 110.489 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -39.23 92.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 122.059 -0.401 . . . . 50.0 111.854 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.83 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.453 0.644 . . . . 25.0 110.313 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.58 -37.5 73.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.405 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.5 -32.08 64.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.295 0.85 . . . . 50.0 113.295 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.78 -25.53 61.2 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 120.987 -1.071 . . . . 50.0 108.938 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -39.36 75.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.236 -1.024 . . . . 50.0 108.236 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.57 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.567 0.347 . . . . 25.0 111.845 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 13.5 t -79.29 -18.49 52.57 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.634 0.73 . . . . 50.0 109.762 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.35 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.147 0.499 . . . . 50.0 109.75 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.15 79.24 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.24 156.17 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.244 -0.889 . . . . 50.0 110.934 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.1 p -78.22 161.52 27.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -63.5 -26.1 68.56 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.735 0.302 . . . . 25.0 110.778 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.31 -39.77 94.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 25.0 109.908 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.57 -35.47 67.97 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.86 -0.422 . . . . 50.0 109.86 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.99 92.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.53 -36.07 68.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 25.0 111.253 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.67 -31.99 73.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.557 0.694 . . . . 25.0 109.634 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -114.21 50.67 0.92 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.596 -0.729 . . . . 50.0 110.646 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 95.7 m -63.62 -22.76 67.07 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.122 0.963 . . . . 25.0 108.741 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.58 -33.46 68.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.353 -0.84 . . . . 25.0 112.425 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.87 -36.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.806 -0.559 . . . . 50.0 109.835 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.44 -39.96 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.9 m -63.75 -44.56 93.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.506 -0.554 . . . . 25.0 109.506 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 47.9 m -60.27 -45.46 93.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.057 0.392 . . . . 25.0 112.057 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.15 -35.77 76.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.41 0.624 . . . . 50.0 111.793 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -64.28 -34.79 78.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.528 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -72.29 -44.96 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.492 1.293 . . . . 50.0 114.492 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -13.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.06 -17.01 50.12 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.858 0.688 . . . . 50.0 112.858 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.36 -15.88 51.21 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.143 0.794 . . . . 50.0 113.143 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -48.6 117.66 2.14 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.988 0.423 . . . . 50.0 110.485 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -96.03 -36.35 11.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.092 1.886 . . . . 25.0 116.092 -164.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.23 -9.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 114.991 1.478 . . . . 75.0 114.991 -170.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.3 t -143.75 120.45 11.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.4 0.619 . . . . 25.0 110.495 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -76.06 -9.78 58.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 50.0 111.65 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.35 -41.94 86.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.603 -0.686 . . . . 50.0 109.777 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.58 -42.43 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 122.372 -0.205 . . . . 50.0 111.504 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.6 ptm -65.95 -33.47 75.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.526 -0.734 . . . . 50.0 110.531 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -72.38 -44.38 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.471 0.545 . . . . 50.0 112.471 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -63.05 -39.36 94.51 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.664 -0.648 . . . . 25.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.2 p -70.23 -39.98 74.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 2.3 t -72.96 -28.81 62.63 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.818 -0.551 . . . . 25.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.5 ttp -60.81 -48.91 79.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.941 0.4 . . . . 25.0 110.216 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.66 -43.36 93.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 50.0 110.03 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -57.36 -40.44 78.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.13 -0.487 . . . . 25.0 110.737 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.06 -42.08 89.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.618 -0.265 . . . . 50.0 111.461 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.0 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.976 -0.29 . . . . 50.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 113.989 1.107 . . . . 50.0 113.989 -179.086 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.312 1.529 . . . . 25.0 114.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.32 -36.78 85.23 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.073 -0.967 . . . . 25.0 111.357 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.1 m -61.71 -30.91 71.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.509 0.671 . . . . 25.0 111.05 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -77.49 -36.41 52.72 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.778 -0.576 . . . . 50.0 110.589 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.26 -38.5 85.23 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.64 -0.424 . . . . 50.0 110.209 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.66 -42.36 98.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.066 -0.254 . . . . 50.0 110.347 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.29 -44.83 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.184 -0.322 . . . . 50.0 111.479 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -41.25 86.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.01 -41.22 96.12 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.045 -0.409 . . . . 50.0 112.043 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.02 87.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.622 0.725 . . . . 25.0 110.587 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.63 -28.61 69.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 50.0 112.125 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.91 -45.95 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 121.727 0.775 . . . . 50.0 110.423 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.48 -35.12 78.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.297 -0.561 . . . . 50.0 111.72 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . 0.415 ' HA ' ' HE3' ' B' ' 364' ' ' LYS . 87.3 m-20 -70.1 -32.79 70.99 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.885 0.698 . . . . 50.0 112.885 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 56.6 p -88.04 -5.6 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.17 1.174 . . . . 50.0 114.17 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.8 41.97 3.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.381 0.61 . . . . 50.0 111.537 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' B' ' 361' ' ' ASN . 99.4 mttt -71.12 172.55 8.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.849 -0.614 . . . . 50.0 109.884 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.907 0 N-CA-C 115.037 1.495 . . . . 50.0 115.037 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.53 -36.19 16.53 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.911 1.449 . . . . 25.0 114.911 -170.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.39 105.3 5.9 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 2.1 pp -133.76 154.89 50.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.445 -0.576 . . . . 50.0 109.445 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -117.84 105.2 11.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.263 0.554 . . . . 25.0 110.863 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.92 -45.01 87.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 114.969 -1.014 . . . . 50.0 111.999 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -71.46 -36.68 71.28 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.15 -0.62 . . . . 50.0 110.399 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -62.96 -34.75 78.18 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.864 -0.522 . . . . 50.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.81 -41.23 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.371 0.605 . . . . 50.0 110.437 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -46.52 94.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.398 -0.819 . . . . 50.0 109.106 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.73 -44.59 93.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.118 0.485 . . . . 50.0 111.337 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.89 97.51 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.253 0.549 . . . . 25.0 110.568 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.49 -41.37 76.2 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.897 -0.502 . . . . 50.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.29 -37.56 83.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.948 0.34 . . . . 50.0 111.711 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -64.06 -39.89 95.06 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.531 -0.731 . . . . 50.0 109.881 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -32.08 73.48 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.278 0.561 . . . . 50.0 110.676 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.38 71.93 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.515 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 24.9 m -79.56 -20.78 46.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 114.217 1.191 . . . . 50.0 114.217 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.53 131.06 41.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.34 0.591 . . . . 50.0 112.121 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.12 55.97 3.32 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.686 0.755 . . . . 25.0 109.704 174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.79 134.73 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.8 p -81.87 160.22 23.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.274 0.559 . . . . 25.0 112.003 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -62.34 -28.36 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.87 -33.95 68.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.278 0.561 . . . . 25.0 111.006 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -78.85 -35.28 44.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.299 -0.876 . . . . 50.0 110.328 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.69 68.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.704 0.402 . . . . 25.0 110.986 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.6 -32.26 65.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.96 0.504 . . . . 25.0 112.248 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.04 -7.04 53.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.29 43.09 3.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.29 -0.414 . . . . 50.0 112.063 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -64.6 -29.01 70.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.939 0.876 . . . . 25.0 109.706 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -62.77 -35.75 80.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.794 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.48 -31.17 71.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.194 0.521 . . . . 50.0 110.077 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.41 -38.33 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -64.42 -40.87 96.6 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.6 m -60.79 -45.07 95.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 119.602 -0.237 . . . . 25.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.17 -38.93 71.58 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.1 0.476 . . . . 50.0 110.602 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.83 -31.63 72.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 50.0 112.074 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.54 -36.84 71.11 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.21 0.459 . . . . 50.0 111.217 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.51 -17.57 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -171.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -12.52 15.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.777 -1.202 . . . . 50.0 112.79 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.25 -14.17 50.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.28 95.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.505 -0.747 . . . . 50.0 112.134 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -100.03 6.11 45.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.93 -24.85 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.695 -0.854 . . . . 50.0 108.695 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -150.85 119.98 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.39 -25.25 64.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 50.0 111.609 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.91 -37.44 54.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-O 121.79 0.805 . . . . 50.0 110.48 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.11 -42.21 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 121.948 -0.47 . . . . 50.0 112.16 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -68.54 -30.98 69.89 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.518 -0.739 . . . . 50.0 110.438 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -67.61 -52.49 37.74 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.46 -41.76 98.61 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.137 -0.352 . . . . 25.0 111.64 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.2 p -64.92 -36.89 85.84 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.744 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 59.3 m -65.57 -39.44 91.67 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.58 -43.14 97.85 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 122.135 -0.353 . . . . 25.0 110.714 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.2 -38.21 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.144 -0.347 . . . . 50.0 111.568 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -62.11 -38.61 89.53 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -67.89 -32.86 73.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.174 0.435 . . . . 50.0 112.174 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.02 -33.4 74.29 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 115.243 1.571 . . . . 50.0 115.243 -177.554 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.38 -57.59 11.61 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.061 -1.024 . . . . 25.0 113.061 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.5 m -64.77 -28.23 69.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.829 -0.545 . . . . 25.0 112.46 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -66.19 -46.93 75.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.41 -37.98 71.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.673 -177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -55.36 -47.02 76.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.636 0.255 . . . . 50.0 110.433 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -63.83 -44.8 92.14 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.623 -0.431 . . . . 50.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.24 -43.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.78 -40.44 92.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.621 0.248 . . . . 50.0 111.28 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.9 87.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.858 0.361 . . . . 25.0 110.568 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.99 -30.2 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.358 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.65 -44.82 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.08 -41.01 67.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.66 -0.496 . . . . 50.0 109.66 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -37.53 87.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.197 0.443 . . . . 50.0 112.197 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.7 p -77.59 -10.64 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.453 1.279 . . . . 50.0 114.453 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.22 15.83 11.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.063 0.394 . . . . 50.0 112.063 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -81.85 157.04 24.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 50.0 111.007 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.82 -21.11 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.231 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.06 -33.42 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.576 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -170.42 95.35 0.23 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.514 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.47 116.09 16.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -127.54 92.88 3.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.789 1.28 . . . . 25.0 109.905 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.09 -41.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.112 -1.403 . . . . 50.0 111.19 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.43 -38.6 74.6 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.857 -0.337 . . . . 50.0 111.155 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -61.21 -37.83 84.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.007 0.432 . . . . 50.0 110.635 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.4 t -65.14 -42.68 93.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.329 -0.396 . . . . 50.0 110.305 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.88 -43.85 97.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.734 0.302 . . . . 50.0 110.707 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.44 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.33 0.586 . . . . 25.0 110.728 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.26 -38.51 75.13 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.943 -0.473 . . . . 50.0 111.005 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -74.81 -26.92 60.06 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.953 -0.467 . . . . 50.0 111.327 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.89 -41.77 92.32 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.018 -1.104 . . . . 50.0 108.018 170.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -37.49 81.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.71 -24.9 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 25.0 111.439 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.0 m -84.0 -8.34 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.496 . . . . 50.0 111.529 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.0 mt -96.77 136.08 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.709 . . . . 50.0 110.874 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.17 62.14 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.623 0.725 . . . . 25.0 110.947 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.08 121.02 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.1 p -87.21 165.74 15.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.779 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 19.9 ptp -62.29 -26.54 68.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.624 0.249 . . . . 25.0 111.257 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.75 -39.7 80.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 25.0 110.207 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.02 -34.35 61.89 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.65 74.05 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 122.181 -0.325 . . . . 25.0 110.581 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.39 -20.61 66.45 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.85 -15.16 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.415 0.626 . . . . 25.0 110.775 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -127.86 45.0 2.82 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.162 -1.422 . . . . 50.0 107.162 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -26.73 66.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 122.303 1.049 . . . . 25.0 111.013 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -69.19 -29.04 66.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.577 -1.192 . . . . 25.0 111.253 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.7 ttp -67.83 -31.97 72.18 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.376 -0.972 . . . . 50.0 108.376 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.39 -35.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.3 m -62.19 -41.43 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.4 m -62.83 -45.73 91.22 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.151 -0.343 . . . . 25.0 110.915 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.72 -36.24 76.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.481 0.658 . . . . 50.0 111.059 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -61.77 -34.5 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.803 -0.635 . . . . 50.0 110.808 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.83 -55.31 5.95 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -25.71 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 116.515 2.043 . . . . 25.0 116.515 -164.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -62.02 -10.86 11.03 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.816 1.043 . . . . 50.0 113.816 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -81.09 -17.47 49.91 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -49.62 107.5 0.15 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.475 0.655 . . . . 50.0 112.388 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -65.69 -31.95 73.24 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.116 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.53 7.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 115.422 1.638 . . . . 50.0 115.422 -163.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.0 t -148.42 119.95 7.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.92 0.867 . . . . 25.0 112.619 173.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.61 -24.2 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.957 -1.02 . . . . 50.0 110.61 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.97 -39.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 121.869 -0.519 . . . . 50.0 109.629 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.02 -42.23 95.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.916 -0.772 . . . . 50.0 108.916 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.67 -30.63 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.077 -1.049 . . . . 50.0 112.28 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -46.76 60.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.685 0.675 . . . . 50.0 110.047 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.62 -47.37 85.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.258 0.552 . . . . 25.0 111.588 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 44.4 p -65.42 -36.52 84.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.633 -0.427 . . . . 25.0 111.01 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.9 m -69.54 -41.87 75.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.968 -0.458 . . . . 25.0 110.262 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 22.7 ttt -58.16 -51.34 70.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.995 0.426 . . . . 25.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.62 -43.88 88.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.395 -0.366 . . . . 50.0 111.406 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.08 -43.03 95.77 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.525 -0.47 . . . . 25.0 110.218 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -64.56 -39.73 94.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.161 -0.337 . . . . 50.0 111.034 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.87 -45.12 90.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 114.588 1.329 . . . . 50.0 114.588 -175.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 116.22 1.933 . . . . 25.0 116.22 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -52.81 -55.09 25.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.473 1.109 . . . . 25.0 112.78 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.3 m -65.48 -28.09 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.94 -43.02 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.24 -37.53 85.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.639 -0.255 . . . . 50.0 110.503 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.69 -45.05 86.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.21 -0.196 . . . . 50.0 110.537 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -65.04 -43.92 90.78 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.816 -0.353 . . . . 50.0 111.517 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.15 -44.73 99.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -58.83 -43.15 90.62 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.127 -0.358 . . . . 50.0 110.74 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.2 -40.32 94.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.638 0.256 . . . . 25.0 110.734 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 50.0 110.078 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.419 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 84.6 mt -66.25 -41.65 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.947 -0.47 . . . . 50.0 109.985 178.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -61.44 -28.54 69.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.904 0.335 . . . . 50.0 111.904 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -95.24 -20.74 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.419 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 97.3 p -68.56 -25.95 65.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.638 0.977 . . . . 50.0 113.638 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.04 48.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.389 0.614 . . . . 50.0 110.562 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.69 170.5 8.13 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.681 -0.691 . . . . 50.0 112.402 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.57 -35.27 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.76 -1.109 . . . . 50.0 108.361 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.18 -39.94 64.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.915 0.886 . . . . 25.0 112.173 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -173.54 130.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.14 111.05 22.57 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.357 0.599 . . . . 50.0 109.801 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -105.07 84.79 2.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.31 -47.03 78.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.872 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -70.78 -33.67 70.99 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 113.571 0.952 . . . . 50.0 113.571 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -59.54 -38.84 82.12 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.171 -0.677 . . . . 50.0 109.171 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.52 -44.31 94.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 50.0 110.64 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.51 -47.39 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.391 -0.225 . . . . 50.0 110.391 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.17 -44.2 97.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.192 0.52 . . . . 50.0 111.159 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.59 99.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 25.0 110.489 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.13 -36.12 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.47 -0.332 . . . . 50.0 110.435 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -36.72 61.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -68.15 -34.43 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 118.483 -1.287 . . . . 50.0 107.692 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.8 -31.58 72.62 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.029 0.442 . . . . 50.0 110.758 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.61 69.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.436 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 m -84.01 -21.21 31.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.99 143.05 50.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -79.3 68.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.631 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 118.28 23.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.559 -0.904 . . . . 50.0 108.559 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.3 p -80.41 165.63 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.794 0.331 . . . . 25.0 110.251 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -60.74 -32.17 71.47 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 122.09 -0.381 . . . . 25.0 111.83 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.47 -35.88 80.05 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.771 -0.58 . . . . 25.0 110.494 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -69.37 -37.67 77.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.41 93.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.264 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -63.98 -42.13 97.32 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -66.9 -36.06 81.42 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.494 0.664 . . . . 25.0 110.902 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -104.16 45.37 0.96 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.656 -0.702 . . . . 50.0 109.477 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 93.6 m -67.58 -27.04 66.6 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.87 -29.02 69.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.12 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.5 ttp -69.88 -28.82 65.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.49 -38.53 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.089 -1.078 . . . . 50.0 108.089 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -62.31 -41.61 98.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.3 m -61.28 -46.16 91.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 119.279 -0.391 . . . . 25.0 111.626 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.25 -39.08 81.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.321 0.581 . . . . 50.0 110.129 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.531 . . . . 50.0 111.005 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -63.56 -37.65 88.14 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.356 . . . . 50.0 111.96 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.6 mt -61.07 -15.4 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 114.131 1.159 . . . . 25.0 114.131 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -60.02 -11.87 6.8 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.85 -1.156 . . . . 50.0 113.649 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -81.07 -22.23 39.4 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 122.063 -0.398 . . . . 50.0 111.12 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -75.84 89.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -98.25 4.27 48.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.121 0.486 . . . . 25.0 110.621 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.41 -29.69 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 50.0 110.179 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -147.05 120.11 8.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.039 0.447 . . . . 25.0 110.202 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -70.05 -26.67 64.13 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.823 1.416 . . . . 50.0 114.823 -174.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.07 -32.95 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.423 0.63 . . . . 50.0 111.195 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.14 -40.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 121.892 -0.505 . . . . 50.0 110.62 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 ptp -71.01 -30.8 67.13 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 119.234 -0.987 . . . . 50.0 110.326 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.13 -46.46 77.43 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.942 0.401 . . . . 50.0 110.535 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -64.67 -45.59 86.08 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.014 -0.429 . . . . 25.0 110.594 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 57.2 p -68.52 -35.23 77.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 5.6 t -72.97 -31.97 64.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.99 0.814 . . . . 25.0 110.181 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -65.69 -42.59 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.13 -43.36 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 50.0 111.315 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -55.48 -40.73 72.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.935 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -71.28 -31.67 67.75 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.519 0.562 . . . . 50.0 112.519 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.82 -38.0 82.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.647 -0.658 . . . . 50.0 110.19 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 113.346 0.869 . . . . 50.0 113.346 -178.045 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.6 tpt . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.51 -41.83 66.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.778 1.231 . . . . 25.0 110.909 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.6 m -65.09 -29.82 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -77.61 -40.48 41.86 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.028 -0.73 . . . . 50.0 109.028 177.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 178.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -60.43 -43.39 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.005 0.366 . . . . 50.0 111.181 173.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -39.71 95.11 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.905 -0.318 . . . . 50.0 111.158 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.14 -43.33 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -58.85 -42.88 90.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.009 -0.432 . . . . 50.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.71 96.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.01 -41.69 99.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.258 -0.275 . . . . 50.0 110.258 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.59 -44.4 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.845 -0.535 . . . . 50.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -62.75 -34.08 76.48 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.43 -0.508 . . . . 50.0 112.146 179.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -88.41 -11.12 46.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.689 0.625 . . . . 50.0 112.689 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 89.4 p -77.51 -30.74 53.12 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.53 -0.732 . . . . 50.0 111.198 -178.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.71 63.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.012 -0.736 . . . . 50.0 109.012 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -111.38 152.79 26.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.12 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 115.377 1.621 . . . . 50.0 115.377 -174.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.54 -32.88 73.9 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -172.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -161.12 94.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.06 117.99 22.67 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.79 -0.764 . . . . 50.0 112.265 -175.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -100.81 83.0 2.48 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.503 -175.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.5 t -53.29 -46.54 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 50.0 112.707 -177.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -68.77 -36.43 78.32 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.604 0.594 . . . . 50.0 112.604 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.445 HH21 ' CD ' ' B' ' 375' ' ' GLU . 2.1 mmp_? -63.07 -32.33 73.68 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.554 -0.458 . . . . 50.0 110.616 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.7 -47.06 82.67 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.58 -0.448 . . . . 50.0 109.805 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.43 -44.84 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 372' ' ' ARG . 47.8 mt-10 -61.67 -44.67 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.504 0.193 . . . . 50.0 111.483 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.052 -0.405 . . . . 25.0 111.006 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.14 -41.17 90.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.297 -0.631 . . . . 50.0 109.297 178.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -69.86 -33.66 72.56 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.56 -46.53 89.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.271 -1.011 . . . . 50.0 108.271 174.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -30.89 69.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 50.0 111.043 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.89 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 177.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 17.4 m -80.27 -24.34 40.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 50.0 112.71 -177.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.15 110.51 16.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.275 0.56 . . . . 50.0 111.532 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -79.32 74.99 5.91 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 174.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.33 156.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 55.1 p -77.1 161.25 28.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.083 0.468 . . . . 25.0 110.685 -177.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -65.66 -29.43 69.99 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.831 -0.543 . . . . 25.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 8.1 pm0 -71.96 -25.34 61.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.926 -0.484 . . . . 25.0 111.236 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.11 -33.78 63.7 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.262 -0.899 . . . . 50.0 108.987 175.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.61 78.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 175.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.68 -36.79 84.67 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.272 0.558 . . . . 25.0 110.96 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.91 -28.63 68.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.031 0.443 . . . . 25.0 111.299 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -116.34 47.89 1.35 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 50.0 110.89 -177.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 54.0 m -67.74 -26.18 66.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 176.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -59.81 -39.58 85.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 25.0 110.216 175.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 63.1 ttp -64.61 -27.53 69.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.119 -0.491 . . . . 50.0 110.951 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.33 -35.79 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.664 -0.865 . . . . 50.0 108.664 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.9 m -65.93 -39.67 90.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 173.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 26.5 m -59.07 -46.39 88.39 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.322 -0.236 . . . . 25.0 110.955 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 77.5 mt -59.93 -38.57 82.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.296 0.57 . . . . 50.0 110.966 176.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -33.03 74.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 50.0 111.847 -178.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -67.0 -42.12 85.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.908 0.322 . . . . 50.0 111.196 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 27.3 mt -61.78 -16.4 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -172.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -58.84 -13.84 7.28 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.777 -1.202 . . . . 50.0 113.094 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -12.06 46.15 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 112.457 0.54 . . . . 50.0 112.457 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -74.55 75.98 1.97 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.302 1.049 . . . . 50.0 110.037 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -85.07 0.71 50.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.146 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.85 -21.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 123.758 0.661 . . . . 50.0 109.854 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.5 t -140.02 120.2 13.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 172.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 7.0 mp0 -66.21 -31.58 72.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.068 -0.253 . . . . 50.0 111.048 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.92 -36.97 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.316 0.579 . . . . 50.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.26 -46.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.985 -1.072 . . . . 50.0 109.788 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 413' ' ' MET . . . . . 0.42 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 29.0 ptm -69.64 -30.79 68.58 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 119.092 -1.043 . . . . 50.0 111.665 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.78 -39.86 66.4 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.3 -0.875 . . . . 50.0 111.318 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.78 -44.63 73.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.901 -0.499 . . . . 25.0 109.992 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 33.1 p -62.67 -37.15 85.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.088 -0.645 . . . . 25.0 110.4 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -66.66 -40.08 88.46 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.991 -0.443 . . . . 25.0 110.923 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.96 -43.23 99.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.01 0.433 . . . . 50.0 110.807 177.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.46 -38.2 83.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.84 -36.05 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.95 -34.64 68.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.204 0.601 . . . . 50.0 112.074 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 -177.632 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . 0.449 ' HB3' HE22 ' B' ' 389' ' ' GLN . 0.0 OUTLIER -63.36 -28.85 70.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 120.839 -1.163 . . . . 25.0 112.111 -177.43 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -30.24 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -73.22 -38.35 66.08 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 176.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.25 -36.42 84.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.447 -0.158 . . . . 50.0 110.689 178.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.45 -42.97 99.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.711 -0.478 . . . . 50.0 109.711 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.23 -40.63 86.38 Favored 'General case' 0 C--O 1.209 -1.039 0 C-N-CA 121.063 -0.255 . . . . 50.0 111.47 178.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.1 -43.99 98.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.556 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 177.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.63 -41.06 94.11 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.635 -0.666 . . . . 50.0 111.379 178.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.12 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.64 -35.55 80.89 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.827 0.451 . . . . 50.0 111.221 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.467 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 94.1 mt -65.29 -44.85 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.361 -0.607 . . . . 50.0 109.361 176.518 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -63.85 -30.66 71.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.338 -0.851 . . . . 50.0 110.354 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.35 -12.16 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.999 0.74 . . . . 50.0 112.999 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.467 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 96.6 p -94.0 -22.39 18.58 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -177.083 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . 0.446 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 1.3 mp -115.48 23.06 12.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.783 0.801 . . . . 50.0 110.558 -179.718 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -81.0 157.88 25.35 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.671 -0.695 . . . . 50.0 109.603 175.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 49.2 pt -69.89 -21.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 114.094 1.146 . . . . 50.0 114.094 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.43 -37.49 56.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.987 1.106 . . . . 25.0 113.987 -172.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.83 72.16 0.77 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.306 -1.368 . . . . 25.0 107.306 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.4 OUTLIER -72.36 128.9 37.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 50.0 109.832 -177.6 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -136.8 110.22 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 25.0 110.381 -179.184 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.38 -44.8 97.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.537 -1.21 . . . . 50.0 111.439 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.124 -0.36 . . . . 50.0 111.237 -176.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -57.07 -39.32 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.078 0.466 . . . . 50.0 110.619 178.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.92 -43.33 88.44 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.766 -0.373 . . . . 50.0 111.356 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.72 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.76 -39.38 87.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.61 0.226 . . . . 50.0 111.61 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.76 90.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.636 0.731 . . . . 25.0 110.081 177.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.51 -33.03 72.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.879 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.11 -32.49 63.22 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.071 -0.393 . . . . 50.0 112.006 -178.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.24 -40.76 95.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.853 0.835 . . . . 50.0 108.964 172.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -27.68 66.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 50.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.03 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.271 -0.268 . . . . 25.0 110.601 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 47.1 t -81.65 -32.79 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 50.0 111.235 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.4 135.2 52.81 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -178.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -81.85 72.55 8.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.456 -0.793 . . . . 25.0 110.612 177.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.38 119.85 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.9 p -74.24 162.88 28.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 23.2 ptp -63.31 -30.14 71.33 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.561 -0.455 . . . . 25.0 111.201 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.44 -35.26 75.5 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.234 0.54 . . . . 25.0 110.548 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . 0.449 HE22 ' HB3' ' B' ' 349' ' ' ASP . 13.6 mm100 -70.75 -36.3 73.05 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.473 -0.767 . . . . 50.0 109.592 177.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.9 90.01 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 176.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.59 -38.48 91.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.293 0.568 . . . . 25.0 110.96 177.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.16 -36.01 64.07 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.302 0.573 . . . . 25.0 111.59 179.091 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -109.72 44.91 1.13 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.095 0.474 . . . . 50.0 110.589 -175.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 32.8 m -69.5 -21.57 63.67 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -177.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.18 -31.73 73.03 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.368 0.604 . . . . 25.0 111.998 175.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -69.73 -34.26 73.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.544 -0.909 . . . . 50.0 108.544 175.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 39.3 mm -68.37 -31.93 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.2 m -63.38 -47.0 83.86 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.736 -0.602 . . . . 25.0 109.608 174.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 28.4 m -63.56 -40.97 98.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.812 0.339 . . . . 25.0 110.948 177.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.48 -36.09 75.35 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.718 0.807 . . . . 50.0 111.442 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -63.6 -38.62 91.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.921 176.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.77 -31.98 65.28 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.422 1.268 . . . . 50.0 114.422 -174.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -19.32 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-O 121.359 0.599 . . . . 25.0 112.169 -177.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -68.32 -11.12 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.632 -0.667 . . . . 50.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -83.53 -5.84 59.28 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.369 -0.207 . . . . 50.0 111.241 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.04 68.82 4.16 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.704 0.764 . . . . 50.0 108.976 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.04 -18.97 60.67 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -169.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.92 -16.12 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.203 0.446 . . . . 50.0 112.203 -177.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -129.09 116.52 19.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 122.042 0.925 . . . . 25.0 112.705 176.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.38 -36.81 68.8 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.364 -0.834 . . . . 50.0 112.584 -178.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.73 -37.7 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.609 -0.682 . . . . 50.0 110.897 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.66 -46.55 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.115 -0.366 . . . . 50.0 110.727 178.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.98 -30.05 68.39 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 119.753 -0.779 . . . . 50.0 110.499 -178.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.43 -49.86 56.86 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.021 -0.272 . . . . 50.0 111.161 176.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -61.05 -42.96 99.47 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.141 0.496 . . . . 25.0 110.433 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 25.0 p -69.17 -34.71 75.36 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.424 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.3 m -67.67 -40.14 84.48 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.604 -0.685 . . . . 25.0 110.238 176.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.7 ttp -59.97 -44.36 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.57 -38.88 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.811 0.338 . . . . 50.0 111.171 177.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -39.57 87.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.52 -34.76 70.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.126 0.489 . . . . 50.0 111.806 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.25 -32.6 73.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.706 0.403 . . . . 50.0 110.878 178.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -178.073 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.73 -51.54 68.44 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 120.753 -1.217 . . . . 25.0 111.076 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -64.96 -27.95 69.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.936 0.398 . . . . 25.0 111.937 -178.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.07 -45.39 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.658 -0.867 . . . . 50.0 108.658 178.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -41.54 87.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 50.0 109.993 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.29 -38.57 89.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.386 -0.196 . . . . 50.0 111.116 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -62.93 -41.96 99.64 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.263 -0.273 . . . . 50.0 111.095 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.98 -44.78 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.993 -0.743 . . . . 50.0 108.993 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -65.44 -27.57 68.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.746 -0.596 . . . . 50.0 112.414 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.97 89.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.48 -36.27 78.72 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 110.236 -0.283 . . . . 50.0 110.236 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.512 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 95.9 mt -63.63 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.061 -1.025 . . . . 50.0 110.472 177.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.644 -0.66 . . . . 50.0 110.594 176.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.16 -31.37 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.697 0.628 . . . . 50.0 112.697 178.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.512 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 90.1 p -81.96 -13.46 57.43 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 114.649 1.351 . . . . 50.0 114.649 -172.384 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.6 mt -120.82 25.72 9.52 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.732 0.696 . . . . 50.0 110.399 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -79.56 170.18 16.94 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.361 -0.382 . . . . 50.0 111.521 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.55 -33.4 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 115.432 1.642 . . . . 50.0 115.432 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -40.1 87.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -172.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -168.44 137.5 2.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.364 -2.828 . . . . 25.0 103.364 178.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.11 143.83 46.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.782 0.719 . . . . 50.0 110.562 -176.552 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -124.15 103.05 8.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.126 0.965 . . . . 25.0 109.569 -172.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.11 -43.63 81.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.399 -1.273 . . . . 50.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.65 -39.49 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.24 -0.288 . . . . 50.0 111.441 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -60.25 -39.21 85.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.17 -42.77 99.45 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.487 -0.485 . . . . 50.0 110.552 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.15 -47.32 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.07 -42.92 99.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 50.0 110.9 -179.067 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.14 88.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 25.0 111.204 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.81 -38.61 89.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.16 -0.681 . . . . 50.0 109.16 177.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -74.86 -26.95 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.192 0.812 . . . . 50.0 113.192 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.68 -44.08 85.53 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 171.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -26.94 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.519 -0.764 . . . . 50.0 111.887 -178.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.54 69.56 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 176.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 32.4 t -79.29 -32.26 43.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.029 0.443 . . . . 50.0 110.157 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 69.7 mt -63.62 131.67 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.144 0.973 . . . . 50.0 111.307 178.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -83.16 71.2 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.864 -1.062 . . . . 25.0 109.479 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.04 123.17 30.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.497 -1.297 . . . . 50.0 107.497 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 43.9 p -78.67 163.73 25.2 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -178.009 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.4 ptp -62.32 -31.42 72.03 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.845 -0.534 . . . . 25.0 112.097 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.49 -37.71 74.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.285 0.564 . . . . 25.0 109.928 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -69.83 -38.31 76.5 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.924 -0.769 . . . . 50.0 108.924 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.99 90.32 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.07 -0.394 . . . . 25.0 110.287 177.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -64.17 -42.72 96.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 25.0 110.64 177.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -66.97 -35.94 81.08 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.471 0.653 . . . . 25.0 109.802 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.15 54.99 1.26 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.61 . . . . 50.0 110.89 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 91.1 m -66.65 -20.42 65.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.8 -35.75 71.25 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.64 172.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 29.5 ttp -66.7 -39.64 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.859 -0.525 . . . . 50.0 109.797 177.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.01 -42.71 97.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.7 m -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.127 177.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 33.7 m -65.1 -45.1 86.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.205 -0.309 . . . . 25.0 111.222 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.0 -36.41 81.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 50.0 110.963 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -58.7 -38.35 78.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 50.0 111.491 177.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.01 -46.44 74.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.932 0.396 . . . . 50.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.8 -18.07 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 25.0 112.065 -173.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.03 -10.99 11.44 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.223 -0.923 . . . . 50.0 112.964 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.97 -20.26 42.3 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 122.23 -0.294 . . . . 50.0 111.462 174.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -78.37 101.74 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.033 -0.728 . . . . 50.0 109.033 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -105.54 -7.78 18.41 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -12.04 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -176.411 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.1 m -142.12 120.0 11.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 167.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.63 -30.91 71.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.435 0.636 . . . . 50.0 110.819 -177.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.47 -40.45 84.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 50.0 110.716 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.06 -47.24 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 122.031 -0.418 . . . . 50.0 111.669 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.3 ptm -65.9 -30.07 70.6 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.999 -0.68 . . . . 50.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -78.96 -39.73 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 177.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.7 -44.53 96.01 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.264 -0.897 . . . . 25.0 108.754 175.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.1 p -65.29 -37.05 85.96 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.451 -0.5 . . . . 25.0 111.982 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.2 t -73.94 -30.86 62.77 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.891 0.768 . . . . 25.0 111.194 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.9 ttp -64.35 -45.47 87.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 176.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.676 0.274 . . . . 50.0 110.691 177.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -58.0 -44.56 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.86 -35.35 74.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.13 0.418 . . . . 50.0 112.13 178.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -60.16 -30.9 69.63 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.151 0.58 . . . . 50.0 111.522 179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 112.428 0.529 . . . . 50.0 112.428 -179.246 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 115.973 1.842 . . . . 25.0 115.973 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.15 -34.92 77.29 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 120.606 -1.309 . . . . 25.0 112.469 -176.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -59.38 -31.1 68.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.871 -0.518 . . . . 25.0 112.134 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.24 60.4 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.398 -0.593 . . . . 50.0 109.398 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.29 -41.25 81.26 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 -176.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.86 -32.45 73.72 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.757 -0.377 . . . . 50.0 110.425 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -62.76 -43.13 99.6 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.527 -0.546 . . . . 50.0 109.527 177.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -44.76 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.802 -0.635 . . . . 50.0 109.288 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -59.23 -40.85 87.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.762 -0.199 . . . . 50.0 111.342 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.78 90.59 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.36 -0.213 . . . . 25.0 111.167 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.9 -40.1 87.63 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.74 -0.384 . . . . 50.0 109.982 178.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.422 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 81.4 mt -62.97 -39.25 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.694 -0.629 . . . . 50.0 110.93 179.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -65.59 -19.63 65.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -98.99 -35.78 9.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.281 0.562 . . . . 50.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.422 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 81.1 p -75.78 6.15 5.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 116.449 2.018 . . . . 50.0 116.449 -173.009 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.4 mt -137.24 21.34 2.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.372 0.606 . . . . 50.0 110.565 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.13 163.87 27.16 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 113.075 0.768 . . . . 50.0 113.075 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 18.5 tt -71.75 -36.7 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 116.303 1.964 . . . . 50.0 116.303 -175.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.73 -44.93 15.05 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -171.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -166.78 144.87 5.12 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 105.217 -2.142 . . . . 25.0 105.217 175.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 152.72 39.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.382 0.882 . . . . 50.0 113.382 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.75 92.87 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.851 175.443 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.68 -47.3 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 120.937 0.398 . . . . 50.0 112.053 -176.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -67.15 -36.81 82.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.142 0.793 . . . . 50.0 113.142 -174.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -63.23 -30.57 71.69 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.375 -0.53 . . . . 50.0 111.097 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 3.8 t -65.98 -41.06 91.62 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.2 -0.6 . . . . 50.0 110.402 176.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.1 -40.83 90.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.94 -44.13 73.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 50.0 111.225 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.8 87.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.159 0.504 . . . . 25.0 111.096 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.34 -31.13 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.291 -0.413 . . . . 50.0 111.204 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.6 0.714 . . . . 50.0 110.389 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.5 -39.14 92.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.693 . . . . 50.0 109.619 178.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -36.63 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.405 . . . . 50.0 110.511 179.192 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.36 67.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.537 -0.301 . . . . 25.0 111.315 -179.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 33.3 m -84.05 -13.85 52.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.172 0.804 . . . . 50.0 113.172 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.16 141.76 33.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.701 . . . . 50.0 112.492 -178.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.19 63.43 5.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.341 -0.845 . . . . 25.0 110.763 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.11 112.52 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 50.0 108.117 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.5 p -70.96 158.08 37.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 25.0 109.733 -177.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -33.84 72.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.514 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -67.14 -37.71 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.415 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -67.36 -42.93 82.66 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 178.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.15 85.24 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.689 0.28 . . . . 25.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -40.93 98.86 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.798 178.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -78.97 -32.62 45.39 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.152 0.501 . . . . 25.0 111.793 -178.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -89.35 48.74 1.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 50.0 110.241 -176.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.2 m -62.4 -24.49 67.42 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.192 0.996 . . . . 25.0 111.489 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -43.02 99.44 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.636 177.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.1 ttp -65.35 -34.26 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.718 -0.614 . . . . 50.0 110.451 177.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.14 -38.22 81.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.348 -0.982 . . . . 50.0 108.348 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.7 m -67.64 -39.84 84.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.403 177.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.1 m -60.47 -49.08 79.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.066 -0.397 . . . . 25.0 110.485 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.04 -37.22 79.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.229 0.538 . . . . 50.0 110.951 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.63 -37.14 85.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 50.0 111.527 177.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -68.35 -39.13 81.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.855 0.687 . . . . 50.0 112.855 -178.165 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.83 -18.09 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -171.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -53.67 -19.79 4.5 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.115 1.154 . . . . 50.0 114.115 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -84.13 -9.38 58.63 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.986 1.106 . . . . 50.0 113.986 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.26 85.22 1.41 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.961 1.097 . . . . 50.0 113.961 -176.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -74.41 -11.65 60.3 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.561 1.319 . . . . 25.0 114.561 -176.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.36 -31.27 52.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.92 -0.488 . . . . 50.0 110.979 -176.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.4 t -145.45 120.11 9.82 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.091 0.472 . . . . 25.0 109.829 174.165 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.38 -32.24 71.14 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.121 -0.491 . . . . 50.0 111.509 -178.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.3 -37.68 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.706 0.765 . . . . 50.0 110.805 -178.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.63 -46.43 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.893 -0.594 . . . . 50.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.7 ptp -69.28 -30.95 69.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.619 -0.832 . . . . 50.0 110.704 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.9 -48.72 70.52 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.2 -0.312 . . . . 50.0 110.622 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.09 -35.18 79.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.791 178.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.2 m -65.34 -41.49 93.85 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.639 178.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 60.6 m -68.38 -38.97 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.6 ttp -59.07 -48.49 81.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 177.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.34 -44.25 92.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.801 0.334 . . . . 50.0 111.353 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.35 -45.05 84.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.747 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 -33.42 69.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.807 0.299 . . . . 50.0 111.807 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.26 97.11 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 178.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 112.578 0.585 . . . . 50.0 112.578 -179.501 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 11.7 ttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.47 -42.38 74.26 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.692 1.197 . . . . 25.0 109.933 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.5 m -66.5 -35.11 79.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.181 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.67 -43.71 71.97 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.94 -40.46 96.5 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.756 -0.378 . . . . 50.0 110.7 179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.546 -0.462 . . . . 50.0 111.554 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.0 tpt85 -68.86 -43.46 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.513 -0.551 . . . . 50.0 109.513 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.45 -42.96 94.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.084 -0.71 . . . . 50.0 109.084 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -57.01 -45.08 83.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.583 0.353 . . . . 50.0 110.953 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.42 95.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.623 0.249 . . . . 25.0 110.447 178.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.82 -43.09 99.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.587 -0.279 . . . . 50.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.85 -43.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.983 -0.448 . . . . 50.0 110.061 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.96 -21.72 66.29 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -101.48 -11.79 19.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.419 0.526 . . . . 50.0 112.419 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.9 p -78.54 -24.14 45.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -177.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 19.7 mt -124.56 58.66 1.21 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.765 0.317 . . . . 50.0 111.703 -178.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -102.54 159.92 15.02 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.845 -0.428 . . . . 50.0 109.845 176.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.36 -17.32 20.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.031 -0.531 . . . . 50.0 111.223 176.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.76 -40.0 34.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.487 0.66 . . . . 25.0 110.343 178.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -155.96 125.5 6.32 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 177.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.91 111.23 19.35 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.181 -1.044 . . . . 50.0 108.181 -179.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.91 94.5 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.66 -47.86 72.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 50.0 110.689 -177.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -64.26 -37.7 88.43 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 112.751 0.649 . . . . 50.0 112.751 -178.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -60.12 -39.42 86.19 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 122.104 -0.372 . . . . 50.0 110.279 -177.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.52 -41.3 93.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.452 -0.34 . . . . 50.0 111.035 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.76 -48.36 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.878 -0.416 . . . . 50.0 109.878 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.63 -42.06 99.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 50.0 110.49 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.63 96.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.82 0.343 . . . . 25.0 111.012 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.5 mt -67.54 -38.37 84.08 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 122.111 -0.368 . . . . 50.0 110.539 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -74.63 -28.11 60.74 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.593 -0.443 . . . . 50.0 111.817 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.6 -46.36 90.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.075 -1.083 . . . . 50.0 108.075 171.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.23 -37.55 87.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.395 -0.82 . . . . 50.0 110.708 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.37 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -178.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.7 m -83.88 -19.25 35.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.524 0.515 . . . . 50.0 111.498 -177.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.5 mt -77.4 139.92 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.575 0.702 . . . . 50.0 111.404 178.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -82.64 75.18 9.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 174.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.01 109.22 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.613 -0.884 . . . . 50.0 108.613 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 68.8 p -71.0 163.53 27.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.298 0.571 . . . . 25.0 111.052 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.2 ptm -57.36 -35.35 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.86 -28.99 63.9 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.811 -0.556 . . . . 25.0 111.457 -179.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -74.06 -41.94 60.96 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.06 89.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.932 -0.395 . . . . 25.0 109.932 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.8 -45.69 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.202 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -72.28 -36.04 68.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.181 0.515 . . . . 25.0 111.873 -177.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -98.74 57.03 1.12 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.512 -0.921 . . . . 50.0 108.512 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -27.39 67.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.181 0.991 . . . . 25.0 109.801 -177.158 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.59 -31.65 72.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.624 -1.171 . . . . 25.0 111.383 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.1 ttp -66.04 -34.39 77.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 176.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 19.3 mm -69.66 -38.42 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.9 m -62.86 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.213 -0.292 . . . . 25.0 110.213 175.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.1 m -61.21 -44.93 96.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.275 -0.265 . . . . 25.0 110.927 177.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.47 -37.47 78.28 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.096 0.474 . . . . 50.0 111.253 177.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -61.53 -32.97 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.912 -0.585 . . . . 50.0 111.39 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.72 -43.13 60.04 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.467 0.914 . . . . 50.0 113.467 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -17.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -169.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -11.05 8.43 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.152 0.797 . . . . 50.0 113.152 177.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -81.07 -11.54 59.48 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.021 0.378 . . . . 50.0 112.021 176.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -70.42 75.65 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.345 0.869 . . . . 50.0 113.345 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.87 -19.55 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.991 -0.443 . . . . 25.0 111.981 179.006 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -18.75 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.67 0.619 . . . . 50.0 112.67 -177.258 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -144.49 119.98 10.35 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.407 -0.96 . . . . 25.0 108.407 171.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.28 -32.27 73.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.493 -0.776 . . . . 50.0 109.147 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.07 -44.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.291 -0.413 . . . . 50.0 110.621 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.34 -46.34 83.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 O-C-N 121.817 -0.552 . . . . 50.0 111.154 -178.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 26.5 ptm -68.06 -32.37 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.657 -178.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.16 -48.1 63.19 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.597 -0.689 . . . . 50.0 111.553 175.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -60.82 -43.53 98.1 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.173 -0.33 . . . . 25.0 110.46 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 45.5 p -68.26 -38.44 81.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.693 -0.403 . . . . 25.0 111.646 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -68.6 -39.9 80.69 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 122.117 -0.365 . . . . 25.0 110.154 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -61.1 -46.37 90.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.95 -44.08 90.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.669 0.271 . . . . 50.0 111.234 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.17 -43.5 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.201 -0.312 . . . . 50.0 111.766 -179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.5 -47.08 87.73 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 176.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 178.922 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.88 -49.96 75.8 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.172 -0.955 . . . . 25.0 108.915 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 27.1 p -61.22 -29.52 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.144 -0.935 . . . . 25.0 112.867 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -73.12 -44.64 59.95 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.332 -0.855 . . . . 50.0 109.43 179.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 54.3 mt -62.0 -37.83 86.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 178.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.84 -41.61 99.4 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.207 -0.308 . . . . 50.0 111.346 174.163 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -65.06 -39.74 93.71 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 118.025 0.375 . . . . 50.0 111.772 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.66 -40.14 85.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.55 -0.908 . . . . 50.0 108.55 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.35 -36.58 82.68 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.985 0.421 . . . . 50.0 111.643 177.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.97 90.48 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.255 -0.278 . . . . 25.0 110.452 177.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.96 -42.02 81.53 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.93 -0.396 . . . . 50.0 109.93 177.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.3 -38.99 77.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 50.0 110.855 179.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -65.91 -22.66 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.151 -0.968 . . . . 50.0 112.803 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -98.6 -15.24 19.55 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -178.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -84.58 -20.98 30.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 -173.235 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . 0.478 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.8 mt -116.94 32.99 5.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.079 0.466 . . . . 50.0 109.761 177.767 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -75.73 151.97 37.54 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.526 -0.734 . . . . 50.0 111.032 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.6 pt -72.02 -25.58 24.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.497 -0.319 . . . . 50.0 111.629 176.174 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.74 -31.63 52.28 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -161.27 95.63 1.04 Allowed 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -175.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . 0.478 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.1 tt -97.01 113.14 24.65 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 112.94 0.719 . . . . 50.0 112.94 -175.188 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -109.39 96.2 6.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.278 -178.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.03 -48.0 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.393 -0.821 . . . . 50.0 111.505 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.34 -30.46 64.76 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.768 -1.207 . . . . 50.0 114.039 -174.364 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -63.97 -33.98 76.95 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.537 -0.865 . . . . 50.0 110.578 177.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.8 t -68.12 -40.95 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.335 -0.546 . . . . 50.0 110.475 176.043 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.8 -43.67 97.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -178.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.06 -41.13 82.46 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.406 -0.517 . . . . 50.0 111.661 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.95 88.77 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.754 -0.591 . . . . 25.0 110.798 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 51.2 mt -72.5 -27.89 62.54 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.341 -0.39 . . . . 50.0 110.952 177.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -76.11 -43.62 42.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.917 0.389 . . . . 50.0 110.965 -179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.13 -24.27 61.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.09 -40.12 60.28 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.438 -0.949 . . . . 50.0 108.438 174.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.226 0.536 . . . . 25.0 111.942 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.7 m -81.88 -7.0 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.763 -0.653 . . . . 50.0 110.411 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.2 151.23 21.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.992 0.901 . . . . 50.0 111.512 178.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -98.07 130.17 44.88 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.592 -2.003 . . . . 25.0 105.592 171.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.59 128.39 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.761 -0.829 . . . . 50.0 108.761 -174.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 30.9 p -82.6 162.84 21.78 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.1 ptp -63.17 -28.98 70.42 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.771 -0.581 . . . . 25.0 111.446 178.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -69.23 -36.55 77.32 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.364 -0.535 . . . . 25.0 111.146 177.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.82 -36.13 64.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 178.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.07 83.77 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.81 -0.356 . . . . 25.0 110.055 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -64.22 -37.73 88.54 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.473 0.654 . . . . 25.0 111.374 176.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -65.68 -30.03 70.66 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.559 -0.713 . . . . 25.0 111.677 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -115.76 41.24 2.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.071 -0.968 . . . . 50.0 110.865 -175.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.4 m -63.98 -24.66 67.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.345 -0.847 . . . . 25.0 109.283 179.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.05 -43.31 81.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.491 1.139 . . . . 25.0 110.594 173.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 59.2 ttp -71.36 -35.49 71.16 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.823 -1.08 . . . . 50.0 110.894 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.08 -36.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.096 -0.705 . . . . 50.0 109.096 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 67.9 m -65.93 -42.91 89.48 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.086 0.469 . . . . 25.0 109.754 176.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.4 m -59.99 -44.51 94.46 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.046 -0.409 . . . . 25.0 110.972 174.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.48 -37.38 75.41 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.031 -0.418 . . . . 50.0 111.908 176.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -58.63 -35.54 72.67 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.498 0.555 . . . . 50.0 112.498 178.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.49 -43.42 69.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 50.0 109.951 -178.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.59 -17.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.82 -173.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -57.06 -24.34 53.19 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.532 -0.73 . . . . 50.0 111.777 172.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -88.08 -9.03 54.6 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.172 0.805 . . . . 50.0 113.172 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.3 108.07 0.3 Allowed 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.943 0.72 . . . . 50.0 112.943 177.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -87.77 -20.17 26.52 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -178.156 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.16 -28.75 33.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 114.343 1.238 . . . . 50.0 114.343 -169.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.0 m -142.92 126.7 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.371 -0.831 . . . . 25.0 112.54 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -64.58 -38.22 90.27 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 114.463 1.283 . . . . 50.0 114.463 -176.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.85 -36.49 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.376 -0.828 . . . . 50.0 109.564 -176.139 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.8 mt -66.87 -45.94 86.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-N 115.728 -0.669 . . . . 50.0 110.363 179.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -66.04 -38.17 87.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.329 0.968 . . . . 50.0 111.256 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -69.14 -47.36 65.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.358 . . . . 50.0 111.968 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.63 -35.38 78.82 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.204 -1.56 . . . . 25.0 111.475 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 87.7 p -68.24 -41.89 80.49 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.51 -0.876 . . . . 25.0 112.53 176.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 -27.99 63.59 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 119.614 -0.834 . . . . 25.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.1 ttp -62.57 -51.07 68.81 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.3 -39.37 78.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.444 -0.344 . . . . 50.0 111.393 -179.127 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -60.26 -40.94 92.12 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.076 -0.39 . . . . 25.0 110.735 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.16 -37.53 75.24 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.509 -0.476 . . . . 50.0 110.883 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -62.98 -37.88 88.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.866 0.365 . . . . 50.0 111.175 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.319 -0.742 0 N-CA-C 113.459 0.911 . . . . 50.0 113.459 -176.356 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -57.31 -43.12 83.01 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 114.587 -1.188 . . . . 25.0 111.242 175.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.7 p -61.26 -35.29 76.88 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.224 -0.444 . . . . 25.0 111.713 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.93 -40.47 75.49 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 122.237 -0.29 . . . . 50.0 110.277 178.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.82 -41.45 97.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.734 0.302 . . . . 50.0 111.028 179.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -68.58 -39.48 80.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.727 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -62.91 -44.6 95.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.407 -0.517 . . . . 50.0 110.771 -179.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.97 -44.38 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.817 -0.438 . . . . 50.0 109.817 -177.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -70.86 -26.26 63.18 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.067 -1.02 . . . . 50.0 112.771 179.234 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.05 89.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.52 -0.919 . . . . 25.0 108.52 174.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -66.5 -39.91 88.94 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.306 -0.406 . . . . 50.0 110.385 177.558 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.44 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 90.2 mt -61.18 -41.71 90.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.908 -0.495 . . . . 50.0 109.99 177.028 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.43 -38.37 80.48 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.125 -0.36 . . . . 50.0 110.61 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -85.52 -23.81 27.56 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 113.595 0.961 . . . . 50.0 113.595 -175.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 362' ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 84.0 p -73.69 -20.98 60.39 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -175.049 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 49.5 mt -113.23 28.55 8.7 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.581 -0.525 . . . . 50.0 109.581 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -95.67 158.18 15.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.85 -0.613 . . . . 50.0 109.966 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.9 pt -66.74 -11.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 114.308 1.225 . . . . 50.0 114.308 176.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -38.9 89.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -173.28 96.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -177.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.12 114.89 15.29 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.07 -1.085 . . . . 50.0 108.07 -178.116 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -123.65 96.22 4.88 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.991 0.901 . . . . 25.0 110.478 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.04 -41.58 91.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.789 -1.096 . . . . 50.0 111.233 -178.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.25 -50.75 71.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.753 -178.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.86 -36.51 74.72 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 112.453 0.538 . . . . 50.0 112.453 -175.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.8 t -63.26 -41.45 99.05 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.553 -0.459 . . . . 50.0 110.871 178.232 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.28 -42.05 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.692 -0.63 . . . . 50.0 109.909 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.79 -45.03 95.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.041 0.448 . . . . 50.0 110.099 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.33 93.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.616 0.722 . . . . 25.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.33 -36.82 85.2 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.786 -0.571 . . . . 50.0 111.047 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -71.19 -36.99 72.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.462 0.649 . . . . 50.0 110.839 -179.172 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.042 -0.411 . . . . 50.0 110.117 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.23 -28.96 62.46 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 121.096 -1.003 . . . . 50.0 110.958 178.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.01 65.1 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 122.11 -0.369 . . . . 25.0 111.001 177.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 56.1 m -84.21 -10.0 58.06 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.903 0.705 . . . . 50.0 112.903 177.398 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 148.29 22.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.718 1.377 . . . . 50.0 114.718 -176.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.63 83.64 7.83 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.941 178.087 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 56.3 t -81.5 114.4 22.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.227 -1.027 . . . . 50.0 108.227 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 52.3 p -83.14 166.87 18.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -177.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 92.4 mtp -55.77 -42.24 75.2 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.49 -40.54 80.88 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.396 -0.521 . . . . 25.0 111.163 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.33 -38.33 90.72 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.163 -0.336 . . . . 50.0 110.136 178.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 120.821 0.343 . . . . 25.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -71.64 -34.41 69.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.0 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -70.49 -25.72 63.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.182 -0.324 . . . . 25.0 110.907 -179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.05 43.66 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.199 0.815 . . . . 50.0 113.199 -176.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.9 m -66.41 -19.92 65.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.699 1.238 . . . . 25.0 110.539 178.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -65.22 -38.37 90.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.425 -0.797 . . . . 25.0 110.477 174.308 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -72.29 -29.18 63.63 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 179.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 51.6 mm -69.85 -34.97 62.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.211 -0.663 . . . . 50.0 109.211 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.9 m -64.21 -40.16 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.349 0.595 . . . . 25.0 109.532 175.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.4 m -63.23 -44.33 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.83 175.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -36.42 75.23 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 121.902 0.858 . . . . 50.0 111.078 178.734 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.9 -26.87 65.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 50.0 112.056 -178.004 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.2 -35.49 73.96 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.76 -0.588 . . . . 50.0 111.266 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.41 HG13 ' H ' ' B' ' 403' ' ' ILE . 1.1 mt -62.03 -13.21 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 114.118 1.155 . . . . 25.0 114.118 -177.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -62.56 -13.91 36.38 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.923 -1.111 . . . . 50.0 111.737 178.067 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -89.0 -9.8 50.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.442 0.534 . . . . 50.0 112.442 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.5 89.7 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.386 1.088 . . . . 50.0 110.667 -179.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -80.34 -16.44 54.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.003 0.921 . . . . 25.0 113.127 -175.038 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -24.33 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 114.264 1.209 . . . . 50.0 114.264 -175.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -143.02 116.91 9.34 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.738 0.78 . . . . 25.0 110.184 176.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -69.48 -27.98 65.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.03 -0.986 . . . . 50.0 110.962 -178.417 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -39.14 81.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 -47.11 89.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.164 -0.615 . . . . 50.0 110.808 179.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.9 -29.81 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.073 -0.651 . . . . 50.0 110.684 -177.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -69.43 -45.94 67.95 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.07 -0.393 . . . . 50.0 110.339 176.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -61.05 -38.03 84.74 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -66.02 -41.82 90.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 25.0 110.701 179.061 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 83.0 m -67.56 -38.53 84.26 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.979 0.419 . . . . 25.0 110.545 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.31 -48.53 81.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 25.0 110.724 176.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.43 -39.63 89.05 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.129 -0.357 . . . . 50.0 111.893 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.61 -40.69 97.55 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.962 -0.385 . . . . 25.0 109.962 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.55 -45.66 89.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 177.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.52 -40.08 85.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.493 0.663 . . . . 50.0 110.536 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 109.171 -0.677 . . . . 50.0 109.171 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.506 2.358 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -58.77 -34.86 71.9 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.117 -0.989 . . . . 25.0 111.612 -179.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 15.2 m -60.32 -32.77 71.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.11 69.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 176.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.35 -38.84 91.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.947 -177.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -62.85 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.341 -0.224 . . . . 50.0 110.847 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -63.31 -40.08 96.35 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.587 -0.445 . . . . 50.0 111.19 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.25 -42.41 84.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -60.75 -38.5 85.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.741 -0.6 . . . . 50.0 110.527 178.266 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.78 97.14 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.642 0.258 . . . . 25.0 110.582 177.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.95 -40.02 95.48 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 120.639 0.257 . . . . 50.0 110.532 178.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.91 -35.82 76.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.224 -0.923 . . . . 50.0 110.254 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -71.65 -15.39 62.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.947 -0.47 . . . . 50.0 112.02 177.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -101.06 -34.99 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.357 0.503 . . . . 50.0 112.357 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.0 p -76.38 -7.15 54.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 115.412 1.634 . . . . 50.0 115.412 -171.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.41 28.04 5.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.275 0.489 . . . . 50.0 111.649 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -69.56 169.29 12.93 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 60.4 mt -72.43 -49.55 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 115.593 -0.73 . . . . 50.0 112.134 -177.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.34 -39.88 81.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -172.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -159.68 143.43 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 179.225 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.96 155.52 42.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.525 0.148 . . . . 50.0 111.396 -176.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -129.6 114.19 15.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.09 0.948 . . . . 25.0 111.016 -178.131 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.43 -44.29 98.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.056 -0.974 . . . . 50.0 111.733 -177.085 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.28 -44.21 84.18 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.991 -0.443 . . . . 50.0 110.983 -174.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -62.69 -32.37 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.324 -0.55 . . . . 50.0 111.014 -178.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.46 -42.36 83.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.791 -0.568 . . . . 50.0 110.944 175.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.79 -43.86 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.12 -41.99 99.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.949 0.404 . . . . 50.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.43 91.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 25.0 110.007 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 55.1 mt -68.02 -36.19 79.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.129 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.5 -39.65 81.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.978 0.418 . . . . 50.0 111.073 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.39 -40.01 92.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.443 0.639 . . . . 50.0 110.374 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -22.67 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.664 -0.648 . . . . 50.0 111.285 179.712 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.55 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 175.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.0 t -80.75 -33.13 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 50.0 111.663 -177.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.78 137.14 57.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.237 0.541 . . . . 50.0 112.458 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -77.96 127.13 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 172.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.73 132.27 50.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 N-CA-C 107.738 -1.208 . . . . 50.0 107.738 -177.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 62.7 p -86.6 162.72 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.099 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -32.91 72.71 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -29.17 60.44 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.818 -0.551 . . . . 25.0 111.939 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.46 -36.88 74.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 173.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.81 91.51 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.27 -38.14 89.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.8 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -67.01 -24.58 66.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.721 0.296 . . . . 25.0 110.893 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.28 44.18 1.6 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.154 0.582 . . . . 50.0 110.453 178.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 92.7 m -64.94 -25.51 67.91 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.08 -37.78 80.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.836 0.827 . . . . 25.0 111.681 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.9 ttp -70.72 -28.52 64.79 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.645 -0.659 . . . . 50.0 109.719 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.35 -36.95 77.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.102 -1.073 . . . . 50.0 108.102 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.2 m -62.46 -43.46 98.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 174.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.06 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.735 -0.211 . . . . 25.0 111.276 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.48 -39.09 82.59 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.939 0.4 . . . . 50.0 110.249 178.194 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 50.0 111.198 179.622 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -72.45 -40.82 66.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.92 -0.488 . . . . 50.0 110.888 178.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -14.59 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 114.524 1.305 . . . . 25.0 114.524 -172.18 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -63.05 -13.03 30.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.388 -0.82 . . . . 50.0 111.639 174.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -92.04 -5.95 51.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.014 0.746 . . . . 50.0 113.014 176.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -76.65 76.01 3.32 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.465 0.65 . . . . 50.0 109.49 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -75.78 -8.33 56.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 -178.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.01 -29.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 50.0 110.033 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.4 m -142.19 119.26 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.523 -0.736 . . . . 25.0 110.13 171.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -68.27 -34.36 76.05 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 112.473 0.546 . . . . 50.0 112.473 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 9.7 p -56.91 -33.17 41.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 122.052 -0.405 . . . . 50.0 111.426 178.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.72 -40.93 54.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 121.587 -0.696 . . . . 50.0 110.847 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.8 ptp -68.6 -31.38 70.52 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.07 -1.019 . . . . 50.0 109.57 178.265 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.91 -48.15 64.02 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.075 -0.391 . . . . 50.0 110.936 177.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -61.7 -43.37 98.98 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 62.0 p -69.06 -37.95 78.82 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.226 -0.59 . . . . 25.0 112.2 -176.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.2 t -73.19 -28.67 62.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.451 -0.781 . . . . 25.0 109.853 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 174.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.217 0.532 . . . . 50.0 110.734 178.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -61.7 -40.45 95.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -66.17 -38.9 89.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.901 -0.499 . . . . 50.0 110.64 178.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.42 -45.41 76.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.78 -0.452 . . . . 50.0 109.78 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.217 -0.651 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 179.299 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 115.663 1.727 . . . . 25.0 115.663 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.8 -50.08 72.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.547 1.165 . . . . 25.0 108.219 177.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -68.03 -25.1 65.21 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.504 177.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -66.67 -38.38 86.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.419 1.009 . . . . 50.0 109.132 174.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.56 -41.76 92.59 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.901 -0.72 . . . . 50.0 110.313 177.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -62.93 -32.59 73.92 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.081 0.467 . . . . 50.0 110.533 178.067 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.84 -46.57 84.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.051 0.929 . . . . 50.0 111.06 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.6 -42.97 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.994 -1.003 . . . . 50.0 108.472 -179.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -59.3 -37.68 78.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.377 0.51 . . . . 50.0 112.377 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.55 85.36 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.795 0.331 . . . . 25.0 110.573 177.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.11 -23.0 65.78 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 116.322 -0.399 . . . . 50.0 111.912 -178.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.62 -48.09 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 108.37 -0.974 . . . . 50.0 108.37 176.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -69.1 -41.14 77.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.486 177.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.84 -31.79 73.19 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -175.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 19.7 m -80.83 -19.24 45.05 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.608 0.363 . . . . 50.0 111.206 -178.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.05 20.81 13.11 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.285 0.365 . . . . 50.0 111.741 -177.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -77.06 148.13 36.31 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.769 -1.937 . . . . 50.0 105.769 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.05 -20.82 26.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.509 0.929 . . . . 50.0 113.509 -175.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.65 -35.57 75.31 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.036 0.835 . . . . 25.0 112.511 -177.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -159.38 108.75 1.87 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 179.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.6 137.16 32.58 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 123.934 0.771 . . . . 50.0 109.629 -178.123 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -136.7 88.64 2.39 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.958 -1.019 . . . . 25.0 108.839 175.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.43 -42.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 114.457 -1.247 . . . . 50.0 109.814 -175.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -70.73 -36.14 73.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -176.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.9 -35.72 81.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.389 -0.819 . . . . 50.0 111.059 176.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.4 -40.66 97.22 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.483 -0.487 . . . . 50.0 109.857 174.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.9 -42.46 94.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 119.917 -0.713 . . . . 50.0 109.81 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.55 -36.64 79.07 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.137 -0.625 . . . . 50.0 112.652 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.31 89.74 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 82.6 mt -68.53 -40.34 80.79 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.79 -0.568 . . . . 50.0 110.801 175.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.09 -39.73 94.69 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.737 0.415 . . . . 50.0 110.461 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.78 -50.99 71.41 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.67 0.271 . . . . 50.0 110.563 175.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -29.11 70.15 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.324 0.583 . . . . 50.0 111.587 -177.458 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.36 -30.16 63.12 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 121.455 -0.778 . . . . 25.0 110.62 176.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 69.1 m -81.06 -23.03 38.8 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.101 0.408 . . . . 50.0 112.101 -176.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.37 145.42 49.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.55 0.69 . . . . 50.0 112.349 -178.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -108.77 67.14 0.65 Allowed 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.4 162.77 4.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 115.692 -0.686 . . . . 50.0 110.43 178.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 45.0 p -72.1 159.07 34.77 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 119.748 -0.781 . . . . 25.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 53.2 mtt -61.29 -37.24 82.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.463 0.649 . . . . 25.0 111.614 179.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.62 -35.93 75.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.35 -46.58 79.65 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.21 -0.596 . . . . 50.0 110.867 177.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.91 98.46 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 119.662 -0.815 . . . . 25.0 110.296 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.194 0.521 . . . . 25.0 112.368 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -78.45 -32.81 48.66 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.921 -0.487 . . . . 25.0 112.286 -176.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -83.63 50.44 1.8 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.949 -0.389 . . . . 50.0 109.949 178.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.5 m -64.99 -27.0 68.53 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.646 0.736 . . . . 25.0 110.611 177.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.99 -33.14 73.78 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.939 0.876 . . . . 25.0 110.445 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 67.5 ttp -69.02 -33.06 73.02 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.797 -0.816 . . . . 50.0 108.797 177.2 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.81 -30.31 37.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.482 -0.326 . . . . 50.0 110.355 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.7 m -62.01 -42.24 98.95 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 175.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 32.1 m -60.82 -45.23 95.25 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.499 -0.319 . . . . 25.0 110.22 177.381 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.75 -44.32 96.86 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.676 -0.49 . . . . 50.0 109.676 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -26.77 68.53 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.049 1.129 . . . . 50.0 114.049 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.73 -36.18 70.4 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.925 -0.484 . . . . 50.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 4.7 mt -57.7 -15.87 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -177.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -57.77 -12.68 3.22 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.643 -1.286 . . . . 50.0 113.959 176.409 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -85.72 -8.02 58.43 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 118.616 -0.707 . . . . 50.0 112.617 176.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -63.87 78.74 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.633 0 O-C-N 123.688 0.618 . . . . 50.0 111.79 171.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.47 -7.68 53.79 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.395 -1.441 . . . . 25.0 111.5 -177.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.76 -34.69 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.366 -0.834 . . . . 50.0 110.88 -178.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 20.3 m -144.92 129.12 17.7 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 115.362 1.615 . . . . 25.0 115.362 177.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.66 -20.59 49.91 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.186 -0.915 . . . . 50.0 112.745 177.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.19 -42.73 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 120.666 -0.414 . . . . 50.0 111.879 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.69 -39.33 84.99 Favored 'Isoleucine or valine' 0 C--O 1.25 1.09 0 O-C-N 121.414 -0.804 . . . . 50.0 109.663 176.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.86 -39.61 94.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.9 -0.5 . . . . 50.0 111.778 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -42.4 86.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 50.0 111.277 177.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.99 -40.87 97.36 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.986 -0.686 . . . . 25.0 109.169 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 40.8 p -64.03 -28.77 70.02 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.5 -0.75 . . . . 25.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 417' ' ' THR . . . . . 0.53 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 91.8 m -67.58 -38.8 84.56 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.681 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.5 -42.43 98.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.294 -0.262 . . . . 25.0 110.294 175.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.37 -37.27 77.51 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.738 -0.601 . . . . 50.0 112.073 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 22.3 m-85 -58.54 -39.94 81.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.357 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -72.84 -46.49 52.74 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.53 -0.271 . . . . 50.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -57.55 -44.71 85.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.317 0.647 . . . . 50.0 112.165 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 115.233 1.568 . . . . 50.0 115.233 -175.214 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 121.982 0.896 . . . . 25.0 112.628 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 88.52 174.92 47.35 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.482 -1.386 . . . . 25.0 111.178 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -116.65 136.45 52.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 45.6 t -152.35 92.37 1.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.053 0.221 . . . . 25.0 111.276 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.62 161.52 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 46.5 m -134.19 93.95 3.16 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.01 133.92 38.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 64.4 p 49.17 -141.32 0.66 Allowed 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 116.857 2.169 . . . . 25.0 116.857 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1397 ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' B' ' 406' ' ' PHE . 0.4 OUTLIER -120.79 111.76 17.98 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -67.26 113.55 5.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.827 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 165.18 -27.34 0.19 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -120.81 31.23 6.51 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.064 0.932 . . . . 25.0 110.744 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.76 89.36 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -64.0 -28.41 69.79 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.477 0.656 . . . . 25.0 111.773 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 59.34 -2.64 0.11 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1404 ' ' ASP . . . . . 0.412 ' HXT' ' CG ' ' A' 1404 ' ' ASP . 29.2 t70 . . . . . 0 CA--C 1.564 1.481 0 O-C-N 120.115 -1.616 . . . . 25.0 110.362 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.503 2.191 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -54.11 -57.89 9.38 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.513 0.725 . . . . 25.0 111.693 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.5 m -63.69 -25.15 68.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.69 0.757 . . . . 25.0 112.342 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -72.33 -41.74 66.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.87 -35.67 74.87 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.227 -0.286 . . . . 50.0 110.227 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.29 -44.61 84.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.822 -0.351 . . . . 50.0 111.168 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -61.66 -48.52 80.45 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.698 -0.401 . . . . 50.0 110.292 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.92 -44.48 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.722 0.296 . . . . 50.0 110.656 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.34 -38.79 90.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.55 -0.295 . . . . 50.0 111.036 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.68 85.73 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.99 -26.59 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.292 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.38 -50.94 78.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 50.0 109.68 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -70.7 -27.06 63.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.6 -0.687 . . . . 50.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -75.18 -40.72 59.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.786 0.661 . . . . 50.0 112.786 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 24.2 m -68.99 -31.39 70.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.041 0.386 . . . . 50.0 112.041 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.1 mt -97.53 23.06 8.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.132 1.16 . . . . 50.0 114.132 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.49 142.51 50.17 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 17.3 pt -68.35 -26.18 33.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 115.887 1.81 . . . . 50.0 115.887 -171.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.99 -39.09 72.64 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -154.99 73.74 0.89 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.96 123.62 21.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.035 -0.984 . . . . 50.0 113.159 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -98.54 100.2 11.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.252 1.025 . . . . 25.0 109.86 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.93 -46.76 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.244 -1.344 . . . . 50.0 111.659 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.88 -38.61 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.266 -0.574 . . . . 50.0 112.516 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.0 -37.46 74.32 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.286 0.565 . . . . 50.0 110.167 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.73 -43.64 92.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.359 -0.382 . . . . 50.0 111.595 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.63 -42.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 109.892 -0.41 . . . . 50.0 109.892 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.23 -43.63 95.88 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.819 0.343 . . . . 50.0 111.032 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.26 98.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.276 0.56 . . . . 25.0 110.422 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.16 -38.41 85.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.704 -0.622 . . . . 50.0 110.794 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -74.14 -29.85 62.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.181 0.437 . . . . 50.0 112.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.15 -40.86 98.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.39 -39.48 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.85 68.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 22.3 t -81.75 -21.93 37.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.058 0.456 . . . . 50.0 111.085 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.86 144.08 43.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.462 0.648 . . . . 50.0 111.547 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -77.82 60.66 2.31 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.887 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.03 114.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.982 -0.748 . . . . 50.0 108.982 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.3 p -77.43 159.21 29.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -63.67 -24.54 67.82 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 111.005 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.55 -33.12 66.59 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 122.049 -0.407 . . . . 25.0 110.314 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.93 -39.35 79.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.637 -0.875 . . . . 50.0 108.637 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.54 80.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.03 -36.91 85.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.7 0.286 . . . . 25.0 111.751 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.19 -26.16 55.89 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.075 0.464 . . . . 25.0 111.532 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -119.01 47.78 1.6 Allowed 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.7 m -67.63 -19.69 65.24 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.502 0.668 . . . . 25.0 110.685 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -58.78 -38.47 78.61 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.069 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -66.85 -33.03 74.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.401 0.62 . . . . 50.0 110.083 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 21.0 mm -72.48 -35.04 50.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 108.305 -0.998 . . . . 50.0 108.305 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -65.63 -39.81 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.8 m -63.33 -43.56 97.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.807 -0.558 . . . . 25.0 111.082 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.63 -38.06 77.26 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.525 0.679 . . . . 50.0 110.448 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.54 -33.67 75.39 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.452 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.95 -47.28 69.07 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 111.279 0.103 . . . . 50.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.44 -17.2 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -174.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -9.03 7.34 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.184 -0.947 . . . . 50.0 113.242 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -84.63 -13.51 51.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' 1397 ' ' PHE . 3.7 t80 -52.56 109.82 0.44 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.384 -0.599 . . . . 50.0 109.384 173.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -106.68 -31.12 8.59 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -170.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 31.3 m -71.74 -12.35 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 113.454 0.909 . . . . 75.0 113.454 -172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.4 t -148.12 120.06 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -80.65 -17.17 52.07 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 114.775 1.398 . . . . 50.0 114.775 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.25 -37.0 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.323 -0.861 . . . . 50.0 110.964 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.4 mt -68.84 -43.15 82.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.459 -0.776 . . . . 50.0 109.583 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.3 -28.14 66.01 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 118.912 -1.115 . . . . 50.0 110.583 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -44.98 67.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.552 0.615 . . . . 50.0 110.293 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -65.01 -40.52 95.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.816 0.817 . . . . 25.0 109.188 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -68.27 -41.59 80.83 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.896 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 96.7 m -68.22 -37.64 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.3 ttp -57.31 -54.11 50.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.956 0.408 . . . . 25.0 110.581 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.44 -44.49 91.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 50.0 110.891 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.93 -44.22 91.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.692 0.282 . . . . 25.0 111.538 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -66.79 -36.38 82.26 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 122.367 -0.208 . . . . 50.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -67.59 -46.25 73.15 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.018 0.199 . . . . 50.0 111.161 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.28 -30.29 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 114.355 1.243 . . . . 50.0 114.355 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -71.85 -20.12 61.86 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.572 -0.705 . . . . 50.0 110.372 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -98.22 75.45 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.528 0.68 . . . . 25.0 109.626 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 83.2 mtp . . . . . 0 C--O 1.211 -0.959 0 CA-C-O 124.421 2.058 . . . . 50.0 114.48 -179.142 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 115.735 1.754 . . . . 25.0 115.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 116.1 142.96 7.68 Favored Glycine 0 C--N 1.342 0.914 0 C-N-CA 125.25 1.405 . . . . 25.0 110.235 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -157.74 159.45 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 25.2 m 50.72 63.92 2.03 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.59 -32.34 68.88 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 122.059 0.933 . . . . 25.0 110.551 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 32.0 p -131.75 135.04 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 103.974 -2.602 . . . . 25.0 103.974 172.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.51 148.09 25.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.968 0.889 . . . . 25.0 111.113 -174.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 87.9 p -139.71 -179.5 5.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.29 97.05 2.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.04 1.11 6.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.181 0.515 . . . . 25.0 110.3 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -153.56 160.67 29.39 Favored Glycine 0 CA--C 1.507 -0.456 0 N-CA-C 107.223 -2.351 . . . . 25.0 107.223 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.34 14.79 30.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.624 0.712 . . . . 25.0 112.855 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.4 157.27 37.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -130.35 120.81 24.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.89 170.11 20.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 105.532 -2.025 . . . . 25.0 105.532 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 124.775 2.226 . . . . 25.0 113.859 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.053 -1.03 . . . . 25.0 110.337 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 59.8 p -69.5 -27.95 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.966 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -48.19 68.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.699 -0.852 . . . . 50.0 108.699 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.67 -41.74 92.12 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.304 0.378 . . . . 50.0 110.692 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.96 -37.21 86.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.227 -0.189 . . . . 50.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.55 -43.07 95.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.445 -0.502 . . . . 50.0 110.658 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.76 -42.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.82 -44.07 86.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.015 -0.428 . . . . 50.0 110.213 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.27 90.45 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.702 0.287 . . . . 25.0 110.964 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.94 -39.12 93.02 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.121 -0.326 . . . . 50.0 110.121 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.505 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 78.8 mt -66.98 -42.95 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.211 -0.662 . . . . 50.0 109.211 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.96 -23.69 63.8 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.584 0.587 . . . . 50.0 112.584 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -98.09 -28.13 13.89 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.156 0.798 . . . . 50.0 113.156 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.505 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 72.7 p -70.93 -30.2 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.7 mt -103.47 45.68 0.95 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.954 0.407 . . . . 50.0 111.002 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -98.87 162.42 13.1 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.979 0.419 . . . . 50.0 111.992 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.99 -16.82 17.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.88 -39.96 87.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.452 0.644 . . . . 25.0 111.969 -171.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -177.54 95.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.84 118.62 16.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 -171.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -100.18 93.23 5.6 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 122.39 1.091 . . . . 25.0 111.462 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.7 -43.11 86.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.312 -1.313 . . . . 50.0 111.045 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -65.68 -46.19 80.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.747 -0.596 . . . . 50.0 111.616 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -59.76 -33.53 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.923 0.342 . . . . 50.0 111.923 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.02 -43.27 88.1 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.453 -0.499 . . . . 50.0 110.492 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.26 -43.03 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.403 -0.592 . . . . 50.0 109.403 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.99 -42.26 93.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.278 0.561 . . . . 50.0 110.783 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.89 92.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.84 -36.27 77.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.188 -0.32 . . . . 50.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.94 -39.55 69.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.922 0.391 . . . . 50.0 110.896 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.51 -42.62 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.229 0.538 . . . . 50.0 110.693 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.33 -31.87 66.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.956 -0.465 . . . . 50.0 111.077 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.06 68.15 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 60.6 p -79.36 -15.91 57.13 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.88 0.371 . . . . 50.0 111.306 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.73 131.19 34.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.04 0.924 . . . . 50.0 111.739 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -101.45 134.9 43.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.83 159.11 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 50.0 110.683 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 73.0 p -82.24 162.83 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 58.4 mtt -64.14 -26.75 68.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.25 -36.31 82.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.941 -0.474 . . . . 25.0 111.293 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.977 -0.749 . . . . 50.0 108.977 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 25.0 110.41 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.25 -42.49 68.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.188 -0.32 . . . . 25.0 111.117 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -67.21 -35.97 80.71 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.959 -0.463 . . . . 25.0 111.722 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -119.33 50.31 1.25 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.704 0.764 . . . . 50.0 111.145 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 28.3 m -69.51 -19.3 63.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -58.4 -32.03 68.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.594 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -73.16 -33.22 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.876 -0.787 . . . . 50.0 108.876 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.89 -39.08 79.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.645 -1.243 . . . . 50.0 107.645 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 40.9 m -62.96 -41.21 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.291 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -44.38 91.56 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.317 -0.239 . . . . 25.0 111.128 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.91 -38.66 82.96 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.367 0.603 . . . . 50.0 109.895 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -64.86 -35.05 79.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 50.0 111.927 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -65.96 -32.02 73.26 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.605 -0.684 . . . . 50.0 111.804 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.48 -13.58 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -55.27 -13.38 1.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.634 1.346 . . . . 50.0 114.634 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.72 51.06 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.973 -0.454 . . . . 50.0 111.591 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -75.82 71.4 2.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.605 0.595 . . . . 50.0 112.605 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.67 -0.34 42.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.271 0.558 . . . . 25.0 111.148 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.65 -31.43 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.401 -0.962 . . . . 50.0 108.401 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.4 t -144.14 120.02 10.61 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.828 0.823 . . . . 25.0 110.43 172.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.48 -25.51 66.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.813 -1.085 . . . . 50.0 110.402 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.53 -45.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 122.044 -0.41 . . . . 50.0 110.177 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.76 -42.78 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.4 ttp -59.18 -42.12 90.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.217 0.451 . . . . 50.0 112.217 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.04 -47.58 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.846 0.355 . . . . 50.0 111.386 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.38 -45.27 91.88 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.543 -0.463 . . . . 25.0 110.683 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.2 p -64.96 -36.69 85.19 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.46 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 80.4 m -67.4 -41.33 85.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.726 0.298 . . . . 25.0 110.377 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -61.69 -47.82 83.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.192 -0.299 . . . . 25.0 110.192 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.72 -39.36 93.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.61 0.243 . . . . 50.0 111.194 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.9 -46.7 87.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.52 -35.34 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.93 -0.481 . . . . 50.0 112.062 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.72 -40.16 91.91 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.313 0.486 . . . . 50.0 112.313 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -108.42 4.61 24.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.657 1.725 . . . . 50.0 115.657 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 6.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.917 1.821 . . . . 50.0 115.917 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -80.73 90.74 5.83 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 64.2 mtm . . . . . 0 CA--C 1.549 0.942 0 CA-C-O 124.321 2.01 . . . . 50.0 113.371 -176.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 123.861 1.791 . . . . 25.0 114.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 76.05 28.42 60.5 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 120.329 -1.482 . . . . 25.0 112.934 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.03 117.51 4.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.338 0.589 . . . . 25.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 28.3 t -152.79 -22.27 0.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.615 -0.721 . . . . 25.0 111.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.21 139.3 57.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 26.5 m -125.24 90.16 3.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.791 0.329 . . . . 25.0 110.995 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -128.04 148.64 50.56 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.491 0.662 . . . . 25.0 110.803 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 34.3 t -166.53 154.73 10.24 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.482 -2.044 . . . . 25.0 105.482 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.0 77.34 5.47 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 173.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 86.4 t80 -84.74 -50.78 7.31 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.862 -0.524 . . . . 25.0 112.029 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -154.35 33.36 0.71 Allowed Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.886 -0.673 . . . . 25.0 114.21 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1400 ' ' PHE . . . . . 0.496 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.1 OUTLIER 62.1 10.24 3.59 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.827 1.417 . . . . 25.0 114.827 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 69.25 163.67 0.24 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.891 1.276 . . . . 25.0 113.514 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -148.94 164.92 33.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -81.73 61.47 5.12 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.542 0.942 . . . . 25.0 113.542 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 26.5 t70 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 123.932 1.825 . . . . 25.0 111.691 175.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 115.159 1.541 . . . . 25.0 115.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.91 -41.53 98.03 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.622 -1.299 . . . . 25.0 109.551 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.0 m -60.85 -28.08 68.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -45.38 58.28 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.345 -0.983 . . . . 50.0 108.345 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.21 -41.92 97.68 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 116.045 -0.525 . . . . 50.0 109.749 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.65 -42.65 88.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.893 0.331 . . . . 50.0 111.893 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -45.13 95.35 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.751 -0.463 . . . . 50.0 109.751 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.42 -42.54 93.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 110.125 -0.324 . . . . 50.0 110.125 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -64.83 -34.63 78.82 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.618 -0.676 . . . . 50.0 111.368 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.57 96.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.76 -37.77 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 50.0 111.356 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.53 -45.24 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.667 -0.864 . . . . 50.0 108.667 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . 0.496 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 23.5 mtpt -66.6 -44.28 82.57 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.347 -0.541 . . . . 50.0 111.298 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.99 -37.29 85.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.375 0.509 . . . . 50.0 112.375 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 31.3 m -71.65 -24.62 61.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.222 1.193 . . . . 50.0 114.222 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 13.3 mt -115.21 18.99 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.952 -0.388 . . . . 50.0 109.952 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 146.63 24.45 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.881 -0.6 . . . . 50.0 112.079 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -26.22 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.618 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.25 -40.04 94.84 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -162.13 59.47 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.116 0.484 . . . . 25.0 110.747 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 134.77 56.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -143.57 114.49 7.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 122.034 0.921 . . . . 25.0 110.262 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.12 -43.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.853 -1.067 . . . . 50.0 111.532 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.96 -36.88 69.99 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.167 -0.333 . . . . 50.0 111.089 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.2 -36.46 75.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.071 0.462 . . . . 50.0 110.207 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.3 t -68.55 -41.63 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 50.0 111.718 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.45 -44.83 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 50.0 109.529 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.11 -40.76 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 50.0 110.705 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.7 99.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.216 0.532 . . . . 25.0 110.804 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.94 -37.83 79.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.083 -0.386 . . . . 50.0 110.61 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.6 -30.75 66.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.11 -0.369 . . . . 50.0 111.665 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.21 -35.51 81.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.731 0.777 . . . . 50.0 110.043 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -28.49 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.792 -0.568 . . . . 50.0 109.914 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -80.6 -28.72 37.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 94.4 p -81.58 -24.47 36.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.252 0.549 . . . . 50.0 109.668 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.05 137.84 45.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 174.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -79.42 65.84 4.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.829 0.823 . . . . 25.0 110.124 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.09 114.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.445 -1.317 . . . . 50.0 107.445 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.6 p -76.57 165.11 25.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.794 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -61.5 -28.66 69.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.568 -0.287 . . . . 25.0 111.086 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -70.5 -39.65 74.02 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.031 -0.418 . . . . 25.0 109.905 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.11 -33.83 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.992 -0.683 . . . . 50.0 110.003 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.08 93.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.2 -41.53 94.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.545 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.08 -36.0 81.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.106 0.479 . . . . 25.0 110.086 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -109.56 53.88 0.68 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.878 -0.601 . . . . 50.0 109.508 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 53.2 m -65.73 -21.39 66.52 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.297 1.046 . . . . 25.0 108.24 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.82 -32.96 72.31 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.971 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -30.57 69.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.597 -0.689 . . . . 50.0 109.835 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.2 mm -67.68 -35.74 73.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.105 -1.072 . . . . 50.0 108.105 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.2 m -63.68 -43.13 97.55 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.346 -0.388 . . . . 25.0 110.057 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 58.3 m -60.38 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.225 -0.287 . . . . 25.0 110.225 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.69 -38.67 78.76 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.193 0.521 . . . . 50.0 111.296 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -62.72 -37.13 85.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.046 -0.525 . . . . 50.0 110.859 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.2 -38.09 78.44 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.269 0.47 . . . . 50.0 112.269 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.02 -20.95 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -64.99 -11.66 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.346 -0.846 . . . . 50.0 112.893 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -88.83 -1.22 57.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -71.0 83.71 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.968 0.889 . . . . 50.0 110.945 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.13 -21.01 66.73 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.059 -0.973 . . . . 25.0 112.457 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.94 -26.57 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.767 0.654 . . . . 50.0 112.767 -175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.5 t -138.48 120.08 15.09 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -72.32 -26.39 61.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.358 -0.837 . . . . 50.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.08 -40.35 78.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.489 -0.56 . . . . 50.0 109.489 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -42.19 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.639 -0.663 . . . . 50.0 110.376 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.0 ptp -69.43 -28.53 66.21 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.326 -0.949 . . . . 50.0 111.753 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -43.37 57.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.668 0.667 . . . . 50.0 110.243 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -62.28 -44.22 97.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.552 0.691 . . . . 25.0 110.873 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.9 p -69.74 -35.49 75.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.827 -0.546 . . . . 25.0 112.022 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.7 t -74.02 -27.2 60.83 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.545 -0.722 . . . . 25.0 110.678 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -63.68 -48.05 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.29 -42.51 99.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.959 0.409 . . . . 50.0 110.984 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -58.09 -42.57 85.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.941 -0.392 . . . . 25.0 109.941 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.406 -0.184 . . . . 50.0 111.446 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.18 -42.49 86.21 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.724 0.41 . . . . 50.0 110.477 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -83.96 -33.27 24.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 115.121 1.526 . . . . 50.0 115.121 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -15.82 59.96 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.501 0.592 . . . . 50.0 111.266 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.62 73.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.661 0.743 . . . . 25.0 109.514 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 C--O 1.209 -1.063 0 CA-C-O 124.025 1.869 . . . . 50.0 113.891 -178.318 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 125.113 2.387 . . . . 25.0 113.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 83.36 -174.5 52.19 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 114.207 -1.36 . . . . 25.0 113.015 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -153.87 -48.5 0.09 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.137 0.494 . . . . 25.0 110.788 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 65.2 m -139.87 43.38 1.95 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.528 0.68 . . . . 25.0 109.995 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -85.22 73.65 10.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.081 0.943 . . . . 25.0 112.485 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 5.2 p -75.36 114.47 13.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 64.04 123.17 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.886 1.274 . . . . 25.0 114.022 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 74.9 m -129.89 150.96 50.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.6 t80 -85.16 85.91 7.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -172.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -130.61 123.27 29.11 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 71.0 -2.34 18.64 Favored Glycine 0 C--O 1.215 -1.031 0 N-CA-C 118.022 1.969 . . . . 25.0 118.022 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1400 ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.1 OUTLIER 61.1 35.1 18.82 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.21 0.505 . . . . 25.0 111.554 -175.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 88.19 -179.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.716 2.006 . . . . 25.0 109.037 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 59.72 34.17 22.01 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.304 1.049 . . . . 25.0 111.182 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -99.53 118.24 35.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.552 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.503 2.22 0 CA-C-O 124.14 1.924 . . . . 25.0 114.812 178.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.38 -32.83 74.36 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.699 -1.251 . . . . 25.0 109.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 m -62.53 -31.48 72.26 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.992 -0.443 . . . . 25.0 111.821 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.34 -39.65 78.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.45 -39.69 85.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.338 -0.245 . . . . 50.0 110.338 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.2 -37.49 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.293 -0.255 . . . . 50.0 110.644 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -62.32 -45.34 93.66 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.859 -0.423 . . . . 50.0 109.859 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.89 -41.56 92.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.484 -0.561 . . . . 50.0 109.484 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.07 -39.04 91.06 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.171 -0.331 . . . . 50.0 111.24 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.53 91.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.23 -27.83 69.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.405 0.52 . . . . 50.0 112.405 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.4 mm -62.37 -47.85 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.858 -1.164 . . . . 50.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . 0.544 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 45.9 mtpt -65.25 -42.12 93.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 50.0 110.224 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.04 -21.78 66.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 114.248 1.203 . . . . 50.0 114.248 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.8 p -93.03 -19.01 21.99 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.603 1.705 . . . . 50.0 115.603 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.39 30.23 7.21 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.377 0.99 . . . . 50.0 112.771 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -72.41 168.93 17.41 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.716 1.006 . . . . 50.0 113.716 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.1 pt -63.81 -31.92 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.865 -0.607 . . . . 50.0 112.114 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.15 -40.14 96.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -169.28 146.93 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.45 118.56 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.212 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -113.8 87.62 2.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.544 1.164 . . . . 25.0 109.565 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.67 -45.38 90.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.42 -1.264 . . . . 50.0 111.705 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.85 -38.31 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.598 -0.689 . . . . 50.0 111.69 -174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -60.57 -37.91 82.84 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.723 -0.391 . . . . 50.0 110.419 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.52 -39.57 91.97 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.781 -0.368 . . . . 50.0 111.448 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.66 -46.61 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.77 -40.35 97.04 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.997 0.427 . . . . 50.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.03 97.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.772 -0.58 . . . . 25.0 110.848 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.13 -35.12 76.04 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.845 -0.535 . . . . 50.0 109.959 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.35 -40.83 73.82 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.629 0.233 . . . . 50.0 111.629 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.007 0.432 . . . . 50.0 110.528 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.23 -37.24 80.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.999 -0.438 . . . . 50.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.631 -0.258 . . . . 25.0 111.609 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 55.2 m -79.89 -11.39 59.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.46 127.66 42.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.069 0.938 . . . . 50.0 111.32 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.61 127.5 32.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.87 157.35 20.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 69.0 p -84.16 161.62 20.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -26.08 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.132 0.492 . . . . 25.0 109.945 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -70.93 -34.58 71.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.848 -0.532 . . . . 25.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.2 -36.26 81.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.792 -0.447 . . . . 50.0 109.792 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.03 93.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.474 -0.49 . . . . 25.0 109.963 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.47 -39.87 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 25.0 110.915 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -67.05 -23.57 65.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.491 -0.756 . . . . 25.0 110.774 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.37 45.03 1.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 122.747 0.419 . . . . 50.0 110.298 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 96.8 m -66.52 -19.84 65.88 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 122.285 1.041 . . . . 25.0 108.936 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.47 -42.26 87.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.365 -0.834 . . . . 25.0 110.839 173.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -69.56 -33.85 73.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 50.0 109.888 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.85 -35.68 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.996 -0.742 . . . . 50.0 108.996 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 35.8 m -66.87 -38.74 86.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.89 -43.55 95.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.155 -0.34 . . . . 25.0 110.653 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.04 -38.38 79.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.207 0.527 . . . . 50.0 110.977 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.62 -39.11 90.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.083 -0.508 . . . . 50.0 111.018 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -65.49 -44.14 88.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.391 0.515 . . . . 50.0 112.391 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -13.66 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -172.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -67.14 -12.11 59.1 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.092 -1.005 . . . . 50.0 112.56 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -85.47 -11.97 52.98 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.856 -0.527 . . . . 50.0 111.254 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.53 74.86 1.97 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.586 0.708 . . . . 50.0 111.828 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -73.37 -2.06 20.72 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.0 t -66.11 -33.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 50.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.9 t -138.03 117.79 13.17 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.457 -0.777 . . . . 25.0 109.415 173.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.1 -24.87 64.18 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.925 -0.58 . . . . 50.0 110.126 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.95 -41.93 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 50.0 110.029 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.42 -47.44 72.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.065 -0.516 . . . . 50.0 110.762 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.13 -29.86 68.86 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.512 -0.742 . . . . 50.0 111.063 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.71 -45.63 78.13 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.961 -0.462 . . . . 50.0 110.535 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.35 -37.06 86.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 32.4 m -64.34 -40.6 96.21 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 52.6 m -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.042 -0.355 . . . . 25.0 110.042 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 60.4 ttp -59.67 -50.6 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.406 -0.184 . . . . 25.0 110.96 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.31 -41.03 97.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.038 0.447 . . . . 25.0 109.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.516 -0.311 . . . . 50.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -63.54 -41.39 98.45 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.806 -0.179 . . . . 50.0 110.634 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.92 -19.06 41.54 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.708 0.633 . . . . 50.0 112.708 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.58 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.535 -0.542 . . . . 50.0 109.535 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -85.84 81.97 8.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.699 0.762 . . . . 25.0 110.994 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 125.14 2.4 . . . . 50.0 111.479 177.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 123.784 1.755 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -155.63 25.14 0.58 Allowed Glycine 0 C--N 1.345 1.081 0 O-C-N 120.535 -1.353 . . . . 25.0 112.636 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.78 142.79 44.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 70.6 m -163.18 -39.57 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 62.25 163.93 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.598 1.159 . . . . 25.0 113.783 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 24.8 m -159.36 106.65 1.74 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.684 -0.635 . . . . 25.0 112.389 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -107.13 144.31 34.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 23.7 p -150.58 144.08 25.06 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 10.5 t80 -109.64 124.33 51.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 104.717 -2.327 . . . . 25.0 104.717 168.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.88 72.87 8.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.153 0.501 . . . . 25.0 110.237 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 178.25 -165.44 34.81 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.4 -1.48 . . . . 25.0 109.4 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 21.2 m-30 56.94 77.08 0.28 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.865 0.866 . . . . 25.0 111.048 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 69.47 -11.21 0.51 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.833 1.253 . . . . 25.0 114.137 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.53 125.02 24.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 43.07 48.51 5.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 123.785 1.755 . . . . 25.0 114.857 -177.702 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -50.37 -50.64 50.85 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.024 0.929 . . . . 25.0 113.277 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.5 m -59.53 -29.1 67.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -73.14 -47.89 40.12 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.38 -0.971 . . . . 50.0 108.38 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.29 -40.56 94.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 50.0 111.217 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.28 -42.56 99.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.011 -0.276 . . . . 50.0 111.626 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.27 -45.1 93.05 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.892 -0.323 . . . . 50.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.68 -45.25 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.028 0.381 . . . . 50.0 112.028 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.98 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.427 . . . . 25.0 110.926 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -67.51 -27.23 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.406 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.57 -46.01 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.209 0.458 . . . . 50.0 110.873 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -68.84 -38.27 79.7 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.157 -0.617 . . . . 50.0 111.28 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -70.92 -37.16 72.91 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.308 -0.557 . . . . 50.0 111.435 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.6 p -83.21 1.65 39.67 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 123.011 0.524 . . . . 50.0 112.378 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.84 30.94 2.77 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.323 0.582 . . . . 50.0 109.609 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -65.74 148.78 51.2 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 44.1 pt -86.46 -2.74 8.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.076 0.465 . . . . 50.0 110.711 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.35 -39.94 18.5 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.493 -0.776 . . . . 25.0 111.131 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 47.4 t30 178.32 147.87 0.17 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 101.558 -3.497 . . . . 25.0 101.558 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.95 149.12 33.6 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.509 1.67 . . . . 50.0 115.509 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -94.42 99.68 11.83 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.402 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.31 -47.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.024 0.44 . . . . 50.0 111.439 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -64.77 -39.02 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 50.0 112.834 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.74 -36.09 81.91 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 120.61 -0.436 . . . . 50.0 110.964 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 17.3 t -63.68 -43.16 97.51 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.12 -0.632 . . . . 50.0 109.366 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.8 mt -63.82 -46.22 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -64.2 -42.28 96.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.754 0.311 . . . . 50.0 111.641 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.16 98.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.48 0.657 . . . . 25.0 110.315 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.45 -34.6 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.326 -0.397 . . . . 50.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -73.1 -33.53 65.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.052 0.453 . . . . 50.0 111.48 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.3 -40.92 97.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.606 0.717 . . . . 50.0 109.129 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -27.03 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.702 -0.624 . . . . 50.0 111.017 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.27 -34.71 63.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.425 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 50.9 m -79.7 -24.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 50.0 111.562 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.23 131.09 41.56 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.528 0.68 . . . . 50.0 110.269 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.85 70.97 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.614 0.721 . . . . 25.0 109.777 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.9 t -81.3 119.82 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 50.0 109.968 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 11.4 p -73.08 143.38 47.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -65.0 -29.11 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.47 -34.58 72.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 25.0 110.219 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -69.14 -41.18 77.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.849 -1.167 . . . . 50.0 107.849 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.62 68.98 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.682 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.47 -36.46 80.5 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 111.757 0.28 . . . . 25.0 111.757 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -75.95 -7.01 53.58 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.919 -0.488 . . . . 25.0 112.076 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -119.04 55.58 0.93 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.455 -1.313 . . . . 50.0 107.455 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.1 m -65.07 -24.67 67.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.65 -40.81 80.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.544 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.8 ttp -68.41 -36.55 79.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 50.0 109.997 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.29 -39.51 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 63.0 m -66.36 -40.06 89.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.836 -0.62 . . . . 25.0 109.712 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 98.8 m -61.87 -47.22 85.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.927 -0.483 . . . . 25.0 110.816 175.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.03 -37.58 80.19 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.457 0.646 . . . . 50.0 110.282 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.88 -37.07 86.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 50.0 111.016 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -72.05 -43.02 65.59 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.181 0.808 . . . . 50.0 113.181 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.14 -29.83 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.351 0.66 . . . . 25.0 112.057 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -57.92 -8.13 0.92 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.724 1.75 . . . . 50.0 115.724 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -80.72 -13.98 58.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.833 -0.542 . . . . 50.0 111.507 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.69 126.74 25.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -106.95 -31.32 8.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.94 -14.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 116.444 2.016 . . . . 75.0 116.444 -164.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 137.56 23.07 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.083 -1.011 . . . . 25.0 112.342 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -68.91 -40.44 79.09 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.21 -41.37 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 114.012 1.116 . . . . 50.0 114.012 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.23 -45.36 75.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 121.767 -0.583 . . . . 50.0 110.958 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.6 ptp -69.43 -30.8 68.81 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 119.933 -0.707 . . . . 50.0 110.219 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.57 -51.04 55.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.005 -0.434 . . . . 50.0 111.408 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.89 -42.17 99.68 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.687 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 48.2 p -66.54 -35.99 81.58 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.149 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 97.8 m -66.47 -41.58 88.8 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 122.013 -0.429 . . . . 25.0 110.612 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 37.8 ttp -60.5 -49.0 79.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.02 -40.44 94.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.641 0.258 . . . . 50.0 111.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.34 -49.37 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.92 -31.56 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.268 -0.573 . . . . 50.0 111.957 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.03 -40.81 77.41 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.912 0.387 . . . . 50.0 110.315 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -90.42 -27.64 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.435 0.902 . . . . 50.0 113.435 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -69.07 -33.05 72.93 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 122.089 -0.382 . . . . 50.0 110.699 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -82.44 72.39 9.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.475 0.916 . . . . 25.0 113.475 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.343 2.021 . . . . 50.0 113.269 176.827 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 N--CA 1.507 2.385 0 N-CA-C 116.0 1.852 . . . . 25.0 116.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 71.36 24.77 76.54 Favored Glycine 0 C--N 1.34 0.802 0 O-C-N 120.646 -1.284 . . . . 25.0 112.407 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.89 -10.65 58.23 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 66.7 m -116.39 131.54 56.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 175.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -67.37 -28.9 68.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.675 0.75 . . . . 25.0 110.229 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 1.8 t -158.95 150.78 20.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.336 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.15 -3.42 31.77 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.584 -0.28 . . . . 25.0 111.103 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 72.1 p -156.13 171.55 19.97 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.879 1.807 . . . . 25.0 115.879 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 33.9 t80 -79.23 92.99 5.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.39 -1.277 . . . . 25.0 107.633 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.96 -28.86 65.9 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.458 -0.497 . . . . 25.0 109.968 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 156.88 175.63 28.04 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.448 -0.882 . . . . 25.0 114.485 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1400 ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' B' ' 360' ' ' LYS . 45.2 m-85 -83.96 112.53 20.25 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 173.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -80.72 39.47 0.48 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.358 0.663 . . . . 25.0 110.27 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.82 -17.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.04 2.237 . . . . 25.0 117.04 -175.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -53.47 146.07 13.43 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 114.396 1.258 . . . . 25.0 114.396 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 N--CA 1.5 2.037 0 C-N-CA 125.77 1.628 . . . . 25.0 112.059 179.065 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.512 2.63 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -64.93 -39.96 94.3 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 121.098 -1.001 . . . . 25.0 110.099 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.1 p -65.5 -32.58 74.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.844 0.354 . . . . 25.0 111.344 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.53 -44.05 68.34 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 108.987 -0.746 . . . . 50.0 108.987 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.63 -41.83 99.25 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.665 -0.414 . . . . 50.0 110.568 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.86 -42.0 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.646 0.26 . . . . 50.0 111.111 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 50.0 110.785 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.14 -41.99 87.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.987 -0.375 . . . . 50.0 109.987 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -61.81 -37.37 84.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.119 0.485 . . . . 50.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.62 91.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.94 -28.35 68.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.644 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.94 -46.59 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 121.715 -0.616 . . . . 50.0 109.414 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . 0.432 ' HA ' ' CD2' ' A' 1400 ' ' PHE . 49.4 mtpt -68.82 -39.24 80.12 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.43 -0.508 . . . . 50.0 111.374 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.68 -28.72 67.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 62.6 p -84.06 -15.43 47.5 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 113.173 0.805 . . . . 50.0 113.173 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 20.1 mt -128.0 48.08 2.32 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 118.058 0.39 . . . . 50.0 111.27 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.75 162.67 29.2 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.764 0.711 . . . . 50.0 110.586 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.0 -19.12 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 114.593 1.331 . . . . 50.0 114.593 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -107.96 -40.24 5.3 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.556 1.317 . . . . 25.0 114.556 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -151.51 116.63 5.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.35 153.29 51.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.087 0.773 . . . . 50.0 113.087 -171.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -124.13 107.7 11.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.307 1.051 . . . . 25.0 111.198 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.49 -40.48 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 114.265 -1.334 . . . . 50.0 111.406 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -68.02 -44.48 76.41 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 50.0 111.904 -175.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -61.02 -35.55 77.15 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.526 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.9 t -62.92 -40.55 97.95 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.015 -0.674 . . . . 50.0 110.315 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.92 -45.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.38 -44.21 92.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.399 0.518 . . . . 50.0 112.399 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.81 99.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.276 0.56 . . . . 25.0 110.345 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.2 mt -65.83 -37.49 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.5 -42.16 68.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.098 -1.041 . . . . 50.0 110.047 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.32 -34.2 74.3 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.8 -29.25 69.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.096 -0.377 . . . . 25.0 110.464 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 28.3 t -78.98 -21.21 47.41 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.93 0.395 . . . . 50.0 111.814 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.05 121.1 17.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.778 0.799 . . . . 50.0 110.334 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -80.77 61.55 4.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.846 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.06 147.9 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.312 -0.995 . . . . 50.0 108.312 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 70.3 p -75.78 162.88 27.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.942 0.401 . . . . 25.0 110.161 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 76.3 mtm -61.53 -33.26 73.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.356 . . . . 25.0 110.812 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -71.71 -30.45 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.318 -0.239 . . . . 25.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.51 -42.5 71.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.58 82.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.917 0.389 . . . . 25.0 110.42 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -63.27 -46.24 87.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.427 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.35 -35.8 71.27 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -88.12 54.02 2.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.597 0.713 . . . . 50.0 109.177 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -20.35 65.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.081 0.943 . . . . 25.0 111.491 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -60.58 -35.95 77.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.046 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.8 ttm -66.2 -37.53 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.32 -40.25 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.105 -0.702 . . . . 50.0 109.105 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.3 m -65.48 -42.25 92.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.795 0.331 . . . . 25.0 110.838 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.0 m -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.553 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.93 -37.26 73.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.286 0.565 . . . . 50.0 111.055 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.65 -38.32 89.81 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.025 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.47 -38.56 77.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.904 -0.498 . . . . 50.0 111.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.92 -20.73 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -59.87 -11.06 4.68 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.306 1.224 . . . . 50.0 114.306 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.96 -11.37 59.58 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 119.386 -0.34 . . . . 50.0 111.872 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.93 72.7 0.41 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.777 1.029 . . . . 50.0 113.777 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.05 -14.19 61.36 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.139 0.976 . . . . 25.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.71 -33.91 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.742 -0.663 . . . . 50.0 111.418 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.3 t -144.31 119.94 10.44 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -66.1 -27.63 68.21 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.995 1.109 . . . . 50.0 113.995 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.98 -35.03 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.851 -0.53 . . . . 50.0 111.491 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.96 -45.14 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.841 -0.537 . . . . 50.0 110.479 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.4 ptm -67.72 -30.06 69.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.354 -0.841 . . . . 50.0 110.262 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -70.31 -47.69 59.99 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.578 -0.701 . . . . 50.0 111.828 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -62.1 -40.88 97.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.928 -0.483 . . . . 25.0 110.519 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.6 p -66.75 -33.86 76.56 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.272 -0.571 . . . . 25.0 110.961 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 46.6 m -66.26 -41.99 89.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.835 -0.54 . . . . 25.0 109.875 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.4 ttp -60.16 -46.95 87.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.495 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.95 -38.85 89.68 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.948 -0.301 . . . . 50.0 110.766 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.79 -47.77 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.53 -34.82 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.868 -0.52 . . . . 50.0 112.401 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -57.32 -46.71 82.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.619 0.368 . . . . 50.0 110.116 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -85.52 -18.6 33.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.755 0.65 . . . . 50.0 112.755 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -68.28 -20.11 64.75 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.757 -0.46 . . . . 50.0 109.757 175.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -83.48 40.46 0.72 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.219 1.009 . . . . 25.0 110.962 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 125.328 2.49 . . . . 50.0 112.535 -179.19 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 123.112 1.434 . . . . 25.0 114.846 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 117.29 144.28 7.75 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.133 -0.939 . . . . 25.0 110.926 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.03 152.15 44.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.63 -0.508 . . . . 25.0 109.63 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 19.5 m 55.78 21.2 4.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -136.07 158.71 43.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 52.1 p -143.57 139.51 29.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -136.62 107.02 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 25.0 109.645 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 97.3 p -154.55 178.95 9.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.64 -1.245 . . . . 25.0 107.64 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.93 100.92 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.45 4.95 2.92 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.063 -0.517 . . . . 25.0 112.289 -174.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -158.79 174.32 35.81 Favored Glycine 0 CA--C 1.51 -0.27 0 N-CA-C 105.821 -2.912 . . . . 25.0 105.821 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.61 29.87 1.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.798 1.299 . . . . 25.0 113.628 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.69 159.22 34.75 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -123.33 148.03 46.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 25.0 110.409 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.34 139.79 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 104.984 -2.228 . . . . 25.0 104.984 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 124.68 2.181 . . . . 25.0 111.93 -177.205 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 123.327 1.536 . . . . 25.0 114.827 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -62.07 -38.96 90.79 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 120.59 -1.319 . . . . 25.0 111.872 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -30.42 71.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.325 0.584 . . . . 25.0 111.657 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -41.25 73.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.815 -0.809 . . . . 50.0 108.815 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.27 -32.85 72.31 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.46 -42.09 98.23 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.295 -0.261 . . . . 50.0 110.295 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -62.4 -42.94 99.81 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.921 0.391 . . . . 50.0 110.673 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.02 -44.82 88.09 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.635 -0.506 . . . . 50.0 109.635 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -61.0 -40.09 92.17 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.06 -0.4 . . . . 50.0 110.753 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.95 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.88 -40.57 96.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.115 -0.328 . . . . 50.0 110.115 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.465 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 82.1 mt -65.35 -41.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 121.656 -0.652 . . . . 50.0 110.057 177.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.18 -25.36 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.268 -0.27 . . . . 50.0 111.696 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.37 -36.74 12.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.465 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 69.4 p -67.08 -21.62 65.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.076 1.139 . . . . 50.0 114.076 -172.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 76.1 mt -108.11 29.71 7.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.427 0.529 . . . . 50.0 112.427 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -90.03 154.56 19.72 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.738 0.304 . . . . 50.0 111.475 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -42.53 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 116.461 2.023 . . . . 50.0 116.461 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.58 -39.98 92.24 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -168.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -153.97 68.77 0.77 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.94 119.41 12.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 50.0 112.077 -174.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -106.65 93.84 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.147 0.975 . . . . 25.0 110.96 -176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.78 -45.64 79.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.443 -1.253 . . . . 50.0 111.593 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.7 -43.66 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.06 0.457 . . . . 50.0 111.497 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -60.82 -36.81 80.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.04 0.385 . . . . 50.0 112.04 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -66.06 -41.05 91.3 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.363 -0.535 . . . . 50.0 110.099 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.28 -44.96 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.463 -0.569 . . . . 50.0 109.463 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.84 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.865 0.364 . . . . 50.0 110.972 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.0 97.91 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.208 0.527 . . . . 25.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.2 mt -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.387 -0.37 . . . . 50.0 110.724 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.23 -35.92 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.093 -0.38 . . . . 50.0 110.806 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.42 -38.61 81.08 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.632 -0.667 . . . . 50.0 109.442 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -34.67 77.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 50.0 110.889 178.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.97 -28.13 60.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.3 t -79.85 -32.54 40.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 50.0 110.209 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 53.4 mt -69.51 137.11 52.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.226 0.536 . . . . 50.0 111.259 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.16 134.25 42.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.18 125.24 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.277 -2.12 . . . . 50.0 105.277 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.5 p -80.15 155.65 27.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -63.9 -26.08 68.44 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.121 0.486 . . . . 25.0 110.008 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -64.88 -38.43 90.94 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.906 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.14 -37.15 61.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.857 -0.527 . . . . 50.0 109.611 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.96 73.46 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 121.084 -0.246 . . . . 25.0 110.493 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.58 -39.78 95.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.618 0.247 . . . . 25.0 111.5 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -69.47 -26.43 64.57 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.099 0.476 . . . . 25.0 110.44 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.42 42.92 1.47 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 50.0 109.886 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 81.2 m -67.33 -28.86 68.33 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.16 -36.72 78.2 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.78 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.02 -27.99 66.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.076 0.465 . . . . 50.0 110.017 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 25.3 mm -68.7 -34.6 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.258 -1.016 . . . . 50.0 108.258 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.4 m -65.25 -40.62 94.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.4 m -60.96 -45.48 94.55 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 122.123 -0.361 . . . . 25.0 110.464 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.83 -37.88 80.45 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.168 0.508 . . . . 50.0 110.254 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -65.38 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.429 -0.35 . . . . 50.0 111.094 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.63 -36.57 83.22 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.777 0.288 . . . . 50.0 111.777 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.59 -16.32 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 121.257 0.551 . . . . 25.0 111.971 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.94 -10.95 10.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.093 -1.004 . . . . 50.0 113.357 172.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.03 -13.63 58.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.109 -0.369 . . . . 50.0 110.699 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -76.51 76.61 3.22 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.041 0.924 . . . . 50.0 110.527 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -77.2 -6.74 54.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.928 -0.578 . . . . 25.0 112.505 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.67 -37.86 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.537 -0.301 . . . . 50.0 110.307 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.6 m -138.6 119.99 14.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -68.25 -26.08 65.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.029 0.751 . . . . 50.0 113.029 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.39 -39.08 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 O-C-N 121.982 -0.449 . . . . 50.0 111.057 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.73 -44.97 93.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.46 -0.496 . . . . 50.0 110.3 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.6 ptp -70.63 -28.19 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.025 -0.67 . . . . 50.0 111.299 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.36 -46.26 70.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.066 0.394 . . . . 50.0 109.985 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.91 -41.52 98.01 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.401 0.62 . . . . 25.0 109.63 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 47.8 m -64.6 -37.87 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.999 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 53.4 m -71.61 -36.59 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.172 -0.33 . . . . 25.0 111.112 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 26.8 ttt -57.98 -49.15 77.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.24 -44.19 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 50.0 111.698 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -55.56 -45.16 77.34 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.245 -0.285 . . . . 25.0 110.609 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -72.05 -35.32 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.169 0.433 . . . . 50.0 112.169 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -58.88 -45.36 90.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.69 -15.76 56.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.918 0.71 . . . . 50.0 112.918 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -72.47 -21.49 61.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.543 -0.299 . . . . 50.0 111.206 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -85.73 79.73 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.023 0.916 . . . . 25.0 111.298 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 124.685 2.183 . . . . 50.0 112.207 178.408 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 N--CA 1.511 2.596 0 CA-C-O 122.578 1.18 . . . . 25.0 113.137 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 92.46 164.97 38.46 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 120.939 -1.1 . . . . 25.0 112.405 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -132.93 50.89 2.2 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.868 0.842 . . . . 25.0 109.402 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 4.7 p -97.78 94.21 6.8 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -99.59 22.45 10.83 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.448 1.118 . . . . 25.0 111.301 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 11.5 t -80.62 -11.9 59.58 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 121.086 -1.009 . . . . 25.0 111.324 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -110.76 113.42 25.99 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.275 -1.38 . . . . 25.0 107.275 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 84.0 p -142.76 20.43 1.99 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 114.215 1.191 . . . . 25.0 114.215 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.57 70.47 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -105.33 9.51 33.8 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.752 -1.113 . . . . 25.0 108.856 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -177.53 171.49 44.18 Favored Glycine 0 C--O 1.238 0.366 0 N-CA-C 109.447 -1.461 . . . . 25.0 109.447 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.44 -18.52 13.52 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 117.683 0.742 . . . . 25.0 110.414 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -79.01 146.2 33.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.956 -1.475 . . . . 25.0 110.717 -174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.7 -15.05 40.71 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -94.07 84.08 4.42 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.994 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 43.6 t0 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 123.732 1.73 . . . . 25.0 113.915 174.12 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.508 2.454 0 N-CA-C 115.08 1.511 . . . . 25.0 115.08 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -66.21 -39.03 89.33 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.312 -0.868 . . . . 25.0 110.3 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.3 p -59.65 -29.84 68.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.089 0.471 . . . . 25.0 111.372 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -69.03 -44.47 72.63 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.43 -0.581 . . . . 50.0 109.43 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.51 -33.07 68.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.728 -0.214 . . . . 50.0 111.324 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.52 -41.41 98.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.596 -0.52 . . . . 50.0 109.596 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -63.15 -43.63 97.8 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.522 -0.308 . . . . 50.0 110.262 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.66 -48.39 84.91 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.408 -0.59 . . . . 50.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.44 -36.76 76.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.15 0.5 . . . . 50.0 110.571 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.67 95.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.52 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.863 -0.523 . . . . 50.0 109.689 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.5 -49.93 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.776 -0.577 . . . . 50.0 109.725 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.16 -24.84 64.12 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -87.38 -30.56 20.67 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.966 1.099 . . . . 50.0 113.966 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.2 p -75.92 -22.76 55.7 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.676 0.991 . . . . 50.0 113.676 -173.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 41.9 mt -111.79 42.5 1.72 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.896 0.379 . . . . 50.0 110.55 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -86.64 160.04 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.993 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -46.09 95.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 114.952 -1.022 . . . . 50.0 112.637 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.77 -36.91 81.34 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -152.58 103.01 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 111.337 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.69 115.17 22.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.371 0.605 . . . . 50.0 110.369 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -113.38 91.93 3.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.563 1.173 . . . . 25.0 110.317 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 81.3 t -59.21 -38.79 76.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.121 -1.4 . . . . 50.0 111.052 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -64.48 -46.82 81.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.196 0.443 . . . . 50.0 112.196 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.71 -38.91 86.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 120.966 -0.293 . . . . 50.0 110.941 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.6 -41.36 92.87 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.825 -0.75 . . . . 50.0 110.047 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.58 -45.68 88.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.7 -0.482 . . . . 50.0 109.7 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -60.08 -43.11 95.74 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.924 0.392 . . . . 50.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.77 -37.41 78.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.383 0.611 . . . . 25.0 110.618 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.67 -30.43 52.04 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.89 -0.506 . . . . 50.0 110.582 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.14 -42.76 59.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.099 -0.376 . . . . 50.0 111.76 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.09 -33.22 74.13 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.536 . . . . 50.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.71 -40.67 92.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.708 -0.479 . . . . 50.0 109.708 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.71 74.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.561 0.344 . . . . 25.0 110.986 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.2 m -83.62 -19.37 35.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.362 0.875 . . . . 50.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.96 148.74 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.716 0.769 . . . . 50.0 110.309 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -78.78 58.03 2.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.998 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.93 141.89 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.43 -0.952 . . . . 50.0 108.43 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 46.7 p -109.44 167.13 10.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 121.401 -0.812 . . . . 25.0 111.462 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -58.3 -36.02 72.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.558 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -73.91 -32.24 63.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.678 -0.638 . . . . 25.0 110.882 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -66.12 -39.28 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.227 -1.027 . . . . 50.0 108.227 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.52 87.92 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.282 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.76 -39.96 86.58 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.18 -0.325 . . . . 25.0 111.29 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -74.43 -16.18 60.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -119.66 51.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.067 0.461 . . . . 50.0 110.366 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m -65.21 -29.67 70.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.908 0.861 . . . . 25.0 109.987 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.9 -40.87 94.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.983 -1.008 . . . . 25.0 111.263 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.5 ttp -65.61 -30.65 71.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.214 0.53 . . . . 50.0 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.42 -34.94 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 11.1 m -65.24 -39.65 92.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.231 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 61.0 m -62.3 -42.68 99.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.4 0.28 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.03 -38.68 86.98 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.957 -0.464 . . . . 50.0 110.028 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.23 -36.31 83.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.848 -0.614 . . . . 50.0 111.517 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -60.55 -37.78 82.35 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.073 -0.392 . . . . 50.0 111.471 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.52 -13.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -63.47 -10.55 18.07 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.2 -1.562 . . . . 50.0 112.532 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.61 -10.81 50.37 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.979 0.362 . . . . 50.0 111.979 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -80.25 93.04 5.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -97.19 -8.03 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.35 -43.27 70.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.346 1.029 . . . . 50.0 111.383 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 27.0 t -143.53 120.19 11.14 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.92 -24.83 63.44 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 115.112 1.523 . . . . 50.0 115.112 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.96 -35.78 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.931 -0.48 . . . . 50.0 112.226 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 19.0 mt -71.6 -43.35 71.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.421 -0.799 . . . . 50.0 110.736 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -67.19 -29.68 69.42 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.398 -0.521 . . . . 50.0 110.562 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -46.25 64.65 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.181 -0.324 . . . . 50.0 110.384 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.59 -37.86 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.508 0.67 . . . . 25.0 110.881 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 39.0 p -75.81 -32.75 59.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.7 t -74.35 -28.43 61.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.368 0.985 . . . . 25.0 109.676 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.1 ttp -61.75 -47.9 83.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.59 -38.62 74.05 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.049 -0.523 . . . . 50.0 111.508 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.09 -39.0 84.59 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.67 -0.644 . . . . 25.0 109.533 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.73 -37.66 82.51 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.71 -0.396 . . . . 50.0 111.756 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -60.5 -39.94 89.58 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 122.881 0.473 . . . . 50.0 111.063 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.29 9.67 42.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -62.82 -35.32 79.52 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 112.276 0.473 . . . . 50.0 112.276 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -108.97 40.64 1.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 25.0 110.419 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 125.191 2.424 . . . . 50.0 111.314 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 116.062 1.875 . . . . 25.0 116.062 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -101.85 32.15 7.85 Favored Glycine 0 C--N 1.355 1.635 0 O-C-N 119.71 -1.869 . . . . 25.0 113.094 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -77.42 71.27 3.9 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.221 0.822 . . . . 25.0 113.221 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 11.6 m 69.97 15.02 7.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.489 1.515 . . . . 25.0 114.053 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.14 73.62 2.94 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.112 0.482 . . . . 25.0 111.784 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1394 ' ' THR . . . . . 0.488 HG23 ' HH ' ' A' 1398 ' ' TYR . 24.8 m -147.24 118.97 8.03 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 -176.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -140.04 97.47 3.25 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 53.4 p -162.56 163.84 27.11 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.991 -0.443 . . . . 25.0 111.934 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.9 t80 -95.16 104.98 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 164.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1398 ' ' TYR . . . . . 0.488 ' HH ' HG23 ' A' 1394 ' ' THR . 32.2 m-85 -60.94 137.12 58.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.111 -0.949 . . . . 25.0 110.597 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 85.96 10.36 75.57 Favored Glycine 0 C--O 1.246 0.864 0 N-CA-C 112.184 -0.367 . . . . 25.0 112.184 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.37 -34.46 3.28 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.464 0.306 . . . . 25.0 110.911 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -146.01 -53.22 0.26 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 107.259 -1.385 . . . . 25.0 107.259 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -82.76 142.49 31.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -98.34 144.97 27.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 44.9 p-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 123.277 1.513 . . . . 25.0 113.293 178.09 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 123.09 1.424 . . . . 25.0 114.446 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.88 -37.21 76.06 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.557 1.143 . . . . 25.0 110.695 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -37.71 86.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.934 0.397 . . . . 25.0 111.162 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -74.24 -37.16 63.86 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.95 -39.16 93.52 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.878 0.37 . . . . 50.0 111.286 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -66.42 -38.17 86.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.659 -0.497 . . . . 50.0 109.659 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -64.12 -42.84 96.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.69 -0.404 . . . . 50.0 110.685 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.65 -41.35 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.629 -0.878 . . . . 50.0 108.629 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -60.81 -41.6 96.0 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.018 0.372 . . . . 50.0 110.614 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.92 85.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 25.0 110.544 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.359 -0.382 . . . . 50.0 111.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.91 -42.87 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.565 -0.902 . . . . 50.0 108.565 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.67 -46.68 78.21 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.875 -0.516 . . . . 50.0 109.849 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -59.12 -34.54 72.16 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.0 m -82.11 -16.64 49.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.548 1.314 . . . . 50.0 114.548 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.55 22.94 10.49 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.153 0.978 . . . . 50.0 110.194 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 151.73 33.8 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 113.969 -1.469 . . . . 50.0 111.833 -176.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.4 pt -72.86 -7.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.794 0.684 . . . . 50.0 111.716 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -81.67 -23.57 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.695 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.0 t30 171.68 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.133 1.373 . . . . 25.0 108.114 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 127.15 34.17 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.475 -0.765 . . . . 50.0 112.56 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -121.7 87.36 2.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.709 1.243 . . . . 25.0 110.931 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.28 -41.93 85.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-N 114.099 -1.409 . . . . 50.0 110.945 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -65.54 -41.21 93.31 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.021 -0.424 . . . . 50.0 110.789 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -64.77 -37.18 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.496 0.188 . . . . 50.0 111.497 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.17 -40.02 96.32 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.257 -0.577 . . . . 50.0 109.93 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.51 -43.3 90.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.41 -37.8 88.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.725 0.239 . . . . 50.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.84 94.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.437 0.637 . . . . 25.0 110.86 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.95 -37.76 79.04 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.717 -0.475 . . . . 50.0 109.717 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.58 -34.73 76.32 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.724 -0.61 . . . . 50.0 111.04 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -61.05 -45.5 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.972 -0.751 . . . . 50.0 108.972 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -37.51 87.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.686 0.755 . . . . 50.0 110.252 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.7 -28.71 67.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.01 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 37.5 m -83.65 -15.09 50.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.42 138.61 31.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.555 0.693 . . . . 50.0 112.077 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -83.77 76.61 9.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 50.8 t -74.8 120.78 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.2 p -68.83 155.7 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.63 -30.38 69.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.787 -0.57 . . . . 25.0 111.161 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.87 -43.57 83.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.226 0.536 . . . . 25.0 109.767 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.78 -37.38 76.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.13 98.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.78 -40.0 94.53 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.683 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.2 -32.44 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.714 -0.616 . . . . 25.0 110.856 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -101.75 43.53 1.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m -65.83 -24.66 66.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.61 -42.58 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.416 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 62.5 ttp -68.11 -28.62 67.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.885 0.85 . . . . 50.0 110.172 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 26.8 mm -69.6 -31.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.7 m -69.98 -37.5 75.76 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.855 -0.528 . . . . 25.0 109.762 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.45 -42.88 99.78 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 122.152 -0.343 . . . . 25.0 110.35 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.38 -37.2 80.02 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.622 0.725 . . . . 50.0 110.451 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -66.36 -34.93 79.07 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.873 -0.517 . . . . 50.0 110.904 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -68.06 -54.28 19.44 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -17.45 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -174.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -64.11 -8.22 11.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.236 0.458 . . . . 50.0 112.236 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -96.97 -12.89 22.77 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.28 90.24 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.245 0.545 . . . . 50.0 110.118 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -76.24 -5.73 48.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.77 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 t -76.28 -31.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.643 -0.708 . . . . 50.0 111.043 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.2 m -139.14 119.15 13.4 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.091 0.948 . . . . 25.0 111.865 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -73.79 -25.34 60.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.364 0.876 . . . . 50.0 113.364 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.53 -38.88 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.483 -0.761 . . . . 50.0 110.087 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.71 -43.7 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 50.0 110.301 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ptm -65.57 -35.92 82.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.604 -0.685 . . . . 50.0 111.35 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.65 -48.63 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.793 -0.567 . . . . 50.0 111.9 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.19 -33.21 74.01 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.134 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 42.5 p -70.78 -33.49 70.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.3 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -67.79 -42.95 80.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 64.6 ttp -58.79 -47.41 84.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.715 0.293 . . . . 25.0 110.61 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.87 -38.45 86.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.744 0.276 . . . . 50.0 111.744 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.61 -39.94 93.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -71.38 -35.27 71.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.576 -0.284 . . . . 50.0 111.475 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.67 -42.58 93.19 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -80.16 -1.72 41.58 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 114.676 1.362 . . . . 50.0 114.676 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.68 -29.14 62.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.143 -1.058 . . . . 50.0 108.143 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -110.1 69.66 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 25.0 109.193 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 74.8 mtp . . . . . 0 C--O 1.2 -1.537 0 CA-C-O 124.694 2.188 . . . . 50.0 112.738 -178.146 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 124.036 1.874 . . . . 25.0 114.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -172.08 167.49 40.48 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.85 42.75 20.69 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 124.391 0.701 . . . . 25.0 112.301 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 53.4 m -129.57 134.33 47.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -129.27 144.87 51.39 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 59.8 p -140.81 151.91 44.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -82.24 151.03 27.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 57.8 p -139.37 -109.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.142 -0.349 . . . . 25.0 110.544 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.46 75.2 10.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.794 -1.928 . . . . 25.0 105.794 173.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -88.85 -9.57 51.19 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -168.09 166.58 39.56 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.594 -1.402 . . . . 25.0 109.594 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -13.25 59.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 117.359 0.579 . . . . 25.0 111.966 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -136.7 151.37 49.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 104.171 -2.529 . . . . 25.0 104.171 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -124.21 34.19 5.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 60.33 18.81 8.39 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.399 -1.273 . . . . 25.0 114.075 -177.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 125.329 2.49 . . . . 25.0 111.586 172.571 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 N--CA 1.507 2.421 0 N-CA-C 116.205 1.928 . . . . 25.0 116.205 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -62.77 -38.03 89.01 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.629 -1.294 . . . . 25.0 110.042 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 62.8 p -68.09 -26.13 65.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.904 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.92 -37.35 67.25 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.686 -0.857 . . . . 50.0 108.686 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.498 -0.481 . . . . 50.0 109.945 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.97 -36.94 85.6 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.143 0.497 . . . . 50.0 110.844 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -66.29 -42.83 87.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 50.0 111.207 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.54 -38.89 79.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 108.641 -0.874 . . . . 50.0 108.641 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -57.24 -42.13 80.87 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.957 -0.464 . . . . 50.0 110.321 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.86 98.6 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.737 -0.602 . . . . 25.0 110.224 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.54 -31.33 72.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 111.576 0.213 . . . . 50.0 111.576 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.3 mm -58.68 -45.48 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -68.52 -35.59 77.67 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.855 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.99 -32.8 67.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.856 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 82.8 p -72.61 -23.85 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.407 0.891 . . . . 50.0 113.407 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.0 54.55 1.08 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 122.006 0.908 . . . . 50.0 109.427 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.8 163.99 23.99 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.466 -0.788 . . . . 50.0 110.148 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -30.43 8.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 112.395 0.517 . . . . 50.0 112.395 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -77.72 -33.48 53.05 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.803 0.811 . . . . 25.0 111.599 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -166.6 148.2 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.513 -2.773 . . . . 25.0 103.513 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.95 153.15 40.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 118.433 0.56 . . . . 50.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -125.87 113.36 17.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.043 0.925 . . . . 25.0 111.014 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.33 -46.27 96.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.128 -0.942 . . . . 50.0 111.496 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.28 -40.57 90.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.218 -0.29 . . . . 50.0 110.218 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.96 -41.07 77.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.085 0.469 . . . . 50.0 110.552 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.33 -43.62 81.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.609 -0.515 . . . . 50.0 109.609 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.54 -40.18 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.078 -0.342 . . . . 50.0 110.078 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -44.64 88.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.836 0.454 . . . . 50.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.29 99.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.054 0.454 . . . . 25.0 110.803 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.96 -33.42 75.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.248 -0.283 . . . . 50.0 110.376 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.2 -41.97 69.6 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.172 0.51 . . . . 50.0 111.885 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -63.12 -40.16 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.551 . . . . 50.0 110.38 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -35.63 81.36 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.826 -0.546 . . . . 50.0 111.094 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.68 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 51.0 m -82.38 -14.89 54.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.76 152.07 27.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.779 0.799 . . . . 50.0 112.302 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -78.2 57.29 1.82 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.852 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 25.8 t -79.0 104.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.345 0.593 . . . . 50.0 109.849 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.6 p -78.11 163.93 25.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -61.29 -31.72 71.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -72.53 -32.23 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.487 -0.758 . . . . 25.0 110.883 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -70.69 -36.54 73.34 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.57 87.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.62 -37.09 84.95 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.947 0.403 . . . . 25.0 111.437 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.66 -16.76 61.21 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.836 -0.54 . . . . 25.0 111.586 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -113.71 44.74 1.56 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.281 0.632 . . . . 50.0 110.182 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.9 m -64.34 -23.93 67.47 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.798 0.808 . . . . 25.0 109.948 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.68 -47.38 84.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.166 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.8 ttp -66.4 -35.25 79.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 50.0 110.556 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.0 mm -65.59 -37.56 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.7 m -66.32 -37.23 84.9 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.1 m -64.49 -43.72 93.25 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.012 -0.43 . . . . 25.0 110.934 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.41 -37.19 82.57 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.518 0.675 . . . . 50.0 109.885 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.9 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.736 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.38 -36.0 82.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.697 -0.627 . . . . 50.0 111.415 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 7.7 mt -61.93 -13.01 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -59.26 -12.28 5.27 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.066 1.136 . . . . 50.0 114.066 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -13.85 39.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.178 -0.326 . . . . 50.0 111.059 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -78.98 101.4 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.305 -0.628 . . . . 50.0 109.305 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -106.6 -2.53 21.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.16 -38.15 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.505 0.557 . . . . 50.0 112.505 -172.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 6.4 m -127.61 120.09 27.37 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.637 -0.665 . . . . 25.0 109.867 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.86 -35.99 79.91 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 112.561 0.578 . . . . 50.0 112.561 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.19 -36.23 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 121.673 -0.642 . . . . 50.0 111.418 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.32 -48.52 80.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 O-C-N 121.566 -0.709 . . . . 50.0 109.183 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.6 ptm -70.38 -31.69 69.05 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.639 -0.824 . . . . 50.0 112.23 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.74 -40.74 69.17 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.205 0.912 . . . . 50.0 111.352 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.76 -35.01 74.57 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.702 -0.624 . . . . 25.0 110.2 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.2 m -64.77 -41.25 96.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -66.77 -40.41 88.19 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -48.0 83.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.123 0.169 . . . . 25.0 110.802 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.58 -43.89 88.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.598 0.237 . . . . 50.0 110.934 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -60.18 -39.67 87.32 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.634 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -67.16 -46.41 74.11 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 122.071 -0.393 . . . . 50.0 110.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -34.19 64.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.723 0.409 . . . . 50.0 111.216 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -102.1 9.19 40.45 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -80.12 27.46 0.32 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.248 1.203 . . . . 50.0 114.248 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 34.4 t30 62.07 100.43 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.632 1.173 . . . . 25.0 113.697 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 124.572 2.13 . . . . 50.0 112.985 179.127 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 124.916 2.293 . . . . 25.0 112.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -118.06 43.18 1.66 Allowed Glycine 0 C--N 1.34 0.785 0 O-C-N 120.637 -1.289 . . . . 25.0 111.532 -177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.51 107.85 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.381 0.61 . . . . 25.0 111.769 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 60.2 p -161.6 161.3 29.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.08 150.61 39.76 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 2.4 m 12.83 81.96 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 118.616 2.821 . . . . 25.0 118.616 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 33.21 84.06 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 170.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.61 -39.38 3.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.256 2.687 . . . . 25.0 118.256 -172.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 12.8 t80 -154.57 65.66 0.68 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.309 0.959 . . . . 25.0 112.912 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -115.67 9.8 15.33 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.972 0.415 . . . . 25.0 110.744 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -137.38 98.01 0.26 Allowed Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.325 -0.464 . . . . 25.0 113.095 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -30.02 61.75 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.96 -0.729 . . . . 25.0 111.755 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -127.7 -48.52 1.39 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.837 -0.62 . . . . 25.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -135.08 164.82 26.78 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.81 174.46 13.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 124.423 2.058 . . . . 25.0 114.792 179.064 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.502 2.146 0 CA-C-O 122.655 1.217 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -30.89 71.93 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.287 -1.508 . . . . 25.0 110.188 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.7 m -59.84 -29.23 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.611 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -72.48 -49.84 30.27 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.997 -1.112 . . . . 50.0 107.997 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.27 -40.9 83.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.277 0.473 . . . . 50.0 112.277 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -60.08 -47.15 87.09 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 120.302 -0.559 . . . . 50.0 110.683 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.38 -44.52 87.32 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.32 -0.552 . . . . 50.0 110.92 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.3 -46.95 95.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.82 -36.17 82.32 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.233 -0.292 . . . . 50.0 111.468 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.36 91.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.08 -37.76 86.25 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.571 -0.286 . . . . 50.0 110.449 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.57 -52.74 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -65.41 -37.14 86.04 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 120.716 -0.394 . . . . 50.0 110.922 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.92 -28.07 60.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.789 1.403 . . . . 50.0 114.789 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.2 m -68.34 -30.84 69.89 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.298 1.222 . . . . 50.0 114.298 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 36.3 mt -116.86 45.57 1.82 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.746 0.784 . . . . 50.0 109.485 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -99.25 156.98 16.7 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.852 . . . . 50.0 109.849 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -24.07 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.487 0.66 . . . . 50.0 111.731 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.19 -40.0 78.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -164.12 81.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.75 127.82 32.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.632 0.975 . . . . 50.0 113.632 -174.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -134.55 104.94 6.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.227 1.013 . . . . 25.0 109.694 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.97 -33.39 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 115.127 -0.942 . . . . 50.0 111.427 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.17 -37.89 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.557 0.577 . . . . 50.0 112.557 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -62.04 -36.78 82.62 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.846 -0.342 . . . . 50.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 26.2 t -63.97 -38.01 89.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.711 -0.396 . . . . 50.0 110.387 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.43 -44.78 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 122.032 -0.417 . . . . 50.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.66 -42.11 95.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.928 0.394 . . . . 50.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.06 84.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.464 0.649 . . . . 25.0 110.51 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.42 -34.58 74.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.112 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -40.44 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.941 0.4 . . . . 50.0 111.165 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -62.26 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.638 0.733 . . . . 50.0 110.089 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.54 -26.67 64.61 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 120.964 -1.085 . . . . 50.0 111.572 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.3 69.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.007 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 90.5 p -89.01 -23.44 22.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.164 0.802 . . . . 50.0 113.164 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.64 143.88 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.17 0.804 . . . . 50.0 113.17 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.18 58.54 2.06 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.013 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.66 126.69 38.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 35.1 p -81.09 159.64 24.68 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.05 0.452 . . . . 25.0 109.855 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.5 ptm -64.27 -27.37 69.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.537 -0.727 . . . . 25.0 111.853 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.92 -30.04 58.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 25.0 110.891 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.02 -43.59 74.47 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 107.389 -1.337 . . . . 50.0 107.389 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.03 77.66 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.956 0.408 . . . . 25.0 111.045 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.33 -39.35 90.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.251 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.21 -35.91 30.73 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.875 -0.516 . . . . 25.0 110.819 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -84.92 37.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.459 -0.2 . . . . 50.0 110.459 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 98.7 m -71.39 -23.02 61.8 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.32 -33.57 75.81 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.562 -0.711 . . . . 25.0 111.481 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -67.89 -29.27 68.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.5 -26.06 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.913 -0.492 . . . . 50.0 109.679 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.6 m -65.26 -42.38 93.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.507 -0.746 . . . . 25.0 109.188 173.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 45.1 m -65.25 -41.35 94.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.51 -0.313 . . . . 25.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.78 -46.76 86.52 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.226 0.536 . . . . 50.0 110.208 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -57.86 -31.98 67.21 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -58.14 -38.54 76.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 50.0 110.064 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 4.8 mt -65.73 -13.77 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -62.63 -12.38 22.85 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.372 -1.455 . . . . 50.0 112.471 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -83.02 -19.13 37.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.17 0.588 . . . . 50.0 111.083 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -73.87 110.05 7.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.11 -0.33 . . . . 50.0 110.11 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -100.16 -2.85 33.02 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -2.49 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 115.096 1.517 . . . . 50.0 115.096 -169.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.1 t -147.79 122.58 9.93 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.465 -0.772 . . . . 25.0 111.222 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -68.29 -31.45 70.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.69 -41.81 93.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.95 -0.389 . . . . 50.0 109.95 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.27 -43.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.265 -0.574 . . . . 50.0 110.844 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 ptp -69.94 -32.76 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.499 -0.88 . . . . 50.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.76 -47.53 68.98 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.893 -0.505 . . . . 50.0 111.006 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.15 -44.36 95.73 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.118 -0.364 . . . . 25.0 110.707 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.9 p -66.14 -30.32 70.79 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.34 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 88.5 m -65.28 -39.11 92.15 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.146 0.43 . . . . 25.0 111.059 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -60.37 -46.72 88.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.32 -38.24 84.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.507 0.558 . . . . 50.0 112.507 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.1 -45.15 79.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.88 -42.82 69.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.457 -0.338 . . . . 50.0 111.723 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.25 -37.49 83.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.849 0.356 . . . . 50.0 111.491 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -109.54 20.97 17.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.295 1.22 . . . . 50.0 114.295 -173.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -66.95 5.78 0.61 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 116.657 2.095 . . . . 50.0 116.657 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 60.8 t30 53.64 67.51 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 122.419 1.104 . . . . 25.0 111.558 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 126.346 1.858 . . . . 50.0 115.593 -177.44 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 N--CA 1.511 2.62 0 CA-C-O 122.494 1.14 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 80.47 19.3 69.05 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.356 -1.465 . . . . 25.0 115.396 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.69 128.84 38.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.926 -1.139 . . . . 25.0 107.926 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 33.3 t -168.34 37.38 0.03 OUTLIER 'General case' 0 C--O 1.241 0.652 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -175.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -102.09 145.9 28.69 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 121.837 -0.54 . . . . 25.0 111.199 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 40.8 p -85.6 -25.3 26.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.771 -0.58 . . . . 25.0 112.545 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -157.92 133.79 9.21 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 74.6 m -134.38 154.72 51.21 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.92 0.39 . . . . 25.0 110.47 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.9 t80 -105.06 101.76 11.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.8 6.17 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.8 0.809 . . . . 25.0 109.396 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -160.78 159.64 31.18 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 108.07 -2.012 . . . . 25.0 108.07 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.86 -26.22 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -175.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -135.38 34.08 3.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 148.93 48.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.914 -1.494 . . . . 25.0 112.225 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -70.02 155.33 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.546 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 123.939 1.828 . . . . 25.0 111.762 176.43 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.796 1.76 . . . . 25.0 114.933 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.88 -32.71 74.54 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 120.735 -1.228 . . . . 25.0 109.658 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 34.0 p -59.95 -36.42 77.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -72.93 -40.19 65.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.208 -0.597 . . . . 50.0 109.831 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.73 -39.75 95.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.943 -0.392 . . . . 50.0 109.943 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.94 -41.79 96.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.215 -0.303 . . . . 50.0 110.715 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -61.53 -44.69 96.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 120.569 -0.452 . . . . 50.0 110.088 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.5 -47.39 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.323 -0.399 . . . . 50.0 110.106 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.54 -36.53 84.51 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.973 -0.454 . . . . 50.0 111.702 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.58 87.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -64.43 -41.4 96.61 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.197 -0.668 . . . . 50.0 109.197 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.491 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 91.9 mt -64.64 -40.24 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.94 -0.475 . . . . 50.0 110.394 178.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -59.89 -29.2 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.058 0.392 . . . . 50.0 112.058 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -97.0 -33.07 11.69 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.671 0.619 . . . . 50.0 112.671 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.491 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 80.3 p -67.59 -16.29 64.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.381 1.252 . . . . 50.0 114.381 -174.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 68.1 mt -115.47 24.87 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.613 0.968 . . . . 50.0 113.613 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -116.96 161.18 19.78 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 118.129 0.422 . . . . 50.0 110.076 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.8 pt -66.69 -6.07 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 117.514 2.413 . . . . 50.0 117.514 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.41 -39.92 92.5 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.298 0.57 . . . . 25.0 110.021 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -175.74 74.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 105.974 -1.862 . . . . 25.0 105.974 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.68 123.67 19.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.888 -0.597 . . . . 50.0 110.639 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -126.44 100.45 6.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.517 1.151 . . . . 25.0 111.034 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.0 -40.16 79.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 114.232 -1.349 . . . . 50.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -70.75 -42.01 71.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.477 0.917 . . . . 50.0 113.477 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -66.41 -27.51 67.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.818 -0.753 . . . . 50.0 111.043 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.3 t -67.59 -42.41 82.51 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.147 -0.621 . . . . 50.0 109.865 173.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.41 -40.46 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.33 -45.33 84.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.876 0.369 . . . . 50.0 110.91 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.07 94.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.527 . . . . 25.0 111.106 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.7 -29.95 69.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 50.0 110.647 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.38 -39.45 62.71 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.203 0.525 . . . . 50.0 111.212 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -35.53 80.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.229 0.538 . . . . 50.0 110.188 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.74 -36.46 73.15 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.32 -32.46 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 61.0 m -79.49 -17.45 54.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.031 0.443 . . . . 50.0 111.241 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.38 135.29 36.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.478 0.656 . . . . 50.0 109.693 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -79.67 69.58 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.421 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.86 117.43 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.548 -0.908 . . . . 50.0 108.548 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 65.9 p -79.38 163.33 24.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.721 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 21.8 ptp -63.99 -27.05 68.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.741 -0.599 . . . . 25.0 111.252 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -68.19 -38.72 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 25.0 109.856 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.48 -35.62 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.465 -0.569 . . . . 50.0 109.465 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.47 87.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.313 0.578 . . . . 25.0 110.444 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.75 -38.26 90.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 25.0 111.171 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -78.0 -25.25 47.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -121.18 44.97 2.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.308 0.575 . . . . 50.0 110.642 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 45.6 m -64.22 -14.25 54.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.631 0.729 . . . . 25.0 110.646 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -29.47 63.93 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 172.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.85 -27.92 66.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.208 -0.933 . . . . 50.0 110.098 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 34.5 mm -68.77 -38.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.448 -0.945 . . . . 50.0 108.448 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.3 m -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -64.75 -47.26 78.88 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.762 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.72 -35.76 77.17 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.896 0.379 . . . . 50.0 110.891 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.79 -37.86 88.94 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.244 -0.285 . . . . 50.0 111.336 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -69.05 -41.27 77.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.625 -0.261 . . . . 50.0 111.323 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.02 -18.21 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -56.84 -13.96 3.04 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -85.9 -6.3 59.09 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.12 76.29 1.76 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.912 0.863 . . . . 50.0 112.049 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.65 -23.65 66.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.877 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -19.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 113.909 1.077 . . . . 50.0 113.909 -176.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 47.1 t -144.53 119.86 10.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 O-C-N 121.264 -0.897 . . . . 25.0 112.631 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -74.85 -23.84 58.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.669 -0.696 . . . . 50.0 110.449 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.37 -42.9 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.938 -0.764 . . . . 50.0 108.938 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.12 -43.2 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.855 -0.794 . . . . 50.0 108.855 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.2 ttm -58.7 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.722 0.268 . . . . 50.0 111.722 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.23 -45.0 78.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.874 0.324 . . . . 50.0 111.874 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.03 -43.01 99.89 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.701 -0.8 . . . . 25.0 110.97 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 p -67.45 -36.33 80.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.862 -0.524 . . . . 25.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.8 m -68.37 -41.87 79.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 25.0 110.96 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.3 ttp -62.06 -45.99 91.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.12 -36.81 80.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.631 0.253 . . . . 50.0 111.16 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.24 -45.63 90.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -70.35 -31.5 68.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.912 0.338 . . . . 50.0 111.912 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.3 -31.45 71.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.959 0.503 . . . . 50.0 110.859 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -118.63 14.04 13.47 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.874 1.065 . . . . 50.0 113.874 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -8.69 15.51 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.362 1.616 . . . . 50.0 115.362 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.09 -12.19 59.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.918 0.39 . . . . 25.0 110.663 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 125.439 2.543 . . . . 50.0 112.418 -179.76 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 N--CA 1.507 2.382 0 CA-C-O 125.383 2.516 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1390 ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' 1392 ' ' SER . . . 89.97 -42.67 2.95 Favored Glycine 0 C--N 1.347 1.162 0 O-C-N 119.78 -1.825 . . . . 25.0 110.523 -173.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -71.93 13.92 0.25 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.148 0.979 . . . . 25.0 113.386 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1392 ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' 1390 ' ' GLY . 0.7 OUTLIER -77.73 -8.61 58.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -176.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.29 137.33 32.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.548 0.689 . . . . 25.0 110.708 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 2.5 t -143.07 -27.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.05 -0.406 . . . . 25.0 111.927 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1395 ' ' GLU . . . . . 0.426 ' CD ' HH22 ' B' ' 405' ' ' ARG . 54.8 mt-10 -81.08 128.69 34.01 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.996 0.427 . . . . 25.0 111.64 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.7 t -138.35 167.78 21.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 16.9 t80 -75.72 90.05 2.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -64.44 -44.47 91.07 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 162.2 -175.1 38.7 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.857 -0.687 . . . . 25.0 113.758 174.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -93.47 155.01 17.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -127.88 156.47 42.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.13 -39.97 17.29 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 52.76 44.0 30.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.121 0.962 . . . . 25.0 112.226 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 124.358 2.028 . . . . 25.0 113.091 177.352 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.8 ttp . . . . . 0 N--CA 1.513 2.712 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -62.82 -41.38 99.28 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.162 -0.961 . . . . 25.0 108.98 -176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 18.3 m -71.29 -26.13 62.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.971 -0.456 . . . . 25.0 111.94 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.66 -40.99 72.69 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.826 -0.805 . . . . 50.0 108.826 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.66 -41.47 96.08 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.73 -41.42 81.78 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.423 -0.511 . . . . 50.0 111.67 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.6 96.69 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 122.002 -0.436 . . . . 50.0 110.337 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.96 -42.71 96.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.262 -0.644 . . . . 50.0 109.262 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.38 -41.92 97.89 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.735 -0.603 . . . . 50.0 110.525 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.43 87.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.535 . . . . 25.0 110.164 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.61 -41.85 95.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.147 0.498 . . . . 50.0 110.202 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.429 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 76.0 mt -68.44 -38.54 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.825 -0.547 . . . . 50.0 110.128 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.18 -23.2 67.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.961 -0.563 . . . . 50.0 111.483 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.13 -32.65 10.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.342 0.401 . . . . 50.0 112.059 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.429 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 61.1 p -72.84 -22.4 60.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . 0.431 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 29.8 mt -108.41 26.79 10.05 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 121.171 -0.212 . . . . 50.0 111.568 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -76.46 143.69 40.36 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.025 -0.731 . . . . 50.0 109.025 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 33.0 pt -65.53 -22.61 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.708 1.373 . . . . 50.0 114.708 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.86 -34.31 33.82 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -147.06 62.49 1.18 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.6 OUTLIER -72.3 124.86 25.98 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 122.073 0.94 . . . . 50.0 112.952 -173.356 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -115.5 96.59 5.71 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 122.43 1.11 . . . . 25.0 109.404 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -44.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 114.334 -1.303 . . . . 50.0 111.55 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.47 -40.63 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.659 0.742 . . . . 50.0 112.432 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.67 -28.74 70.11 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.712 -0.618 . . . . 50.0 112.007 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.1 t -71.13 -38.13 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.429 -0.509 . . . . 50.0 111.347 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.28 -42.1 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 108.621 -0.881 . . . . 50.0 108.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.48 -43.12 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.675 0.75 . . . . 50.0 110.204 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.39 80.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 45.1 mt -75.18 -27.78 59.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.491 . . . . 50.0 110.924 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -40.87 48.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.183 0.438 . . . . 50.0 112.183 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -59.35 -41.21 88.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.522 0.677 . . . . 50.0 109.19 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -34.67 74.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 50.0 111.057 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.37 -30.59 70.43 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.137 -0.352 . . . . 25.0 111.073 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.7 t -79.63 -31.99 41.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.879 0.872 . . . . 50.0 112.174 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.17 153.08 44.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.894 1.072 . . . . 50.0 113.894 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.06 75.03 2.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.047 -0.979 . . . . 25.0 110.959 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.28 116.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.2 p -101.21 173.01 6.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.05 -34.58 75.1 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.0 -35.85 80.87 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.975 -0.453 . . . . 25.0 110.856 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.44 -36.21 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.371 -0.831 . . . . 50.0 109.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.04 -34.23 77.6 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.888 -0.508 . . . . 25.0 110.413 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.925 -0.484 . . . . 25.0 110.552 175.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.92 -33.61 75.95 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.642 0.734 . . . . 25.0 110.895 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -124.37 61.89 1.12 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.725 -0.67 . . . . 50.0 110.796 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.9 m -70.08 -20.04 63.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.275 1.036 . . . . 25.0 108.625 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.97 -28.69 70.26 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.169 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.6 ttm -62.39 -41.48 98.68 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.8 -43.12 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.228 -1.027 . . . . 50.0 108.228 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -63.2 -38.66 92.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.554 . . . . 25.0 111.563 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 42.8 m -68.0 -48.4 65.84 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.079 -0.388 . . . . 25.0 110.075 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.47 -38.06 76.78 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.361 0.6 . . . . 50.0 110.628 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -57.76 -33.36 68.41 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.546 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.04 -40.99 52.18 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.068 -0.395 . . . . 50.0 111.895 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.3 mt -65.33 -17.88 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.48 -10.91 13.27 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.912 -1.118 . . . . 50.0 112.467 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.426 HH22 ' CD ' ' A' 1395 ' ' GLU . 1.5 mmm180 -83.7 -14.8 50.86 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 112.693 0.627 . . . . 50.0 112.693 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.43 72.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.549 1.314 . . . . 50.0 114.549 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -73.34 -12.89 60.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.544 0.738 . . . . 25.0 111.494 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.58 -29.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.797 -1.092 . . . . 50.0 110.189 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -144.11 116.37 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.19 -32.77 74.48 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 -172.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.4 -37.21 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.658 0.742 . . . . 50.0 111.578 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.97 -48.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.416 -0.803 . . . . 50.0 109.778 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -68.84 -30.92 69.56 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.153 -1.019 . . . . 50.0 110.577 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.21 -44.49 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.891 0.769 . . . . 50.0 111.635 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -67.1 -39.12 86.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 118.58 0.627 . . . . 25.0 109.997 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 55.5 p -69.34 -35.78 76.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.348 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.1 m -68.83 -39.07 80.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.778 0.717 . . . . 25.0 109.325 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.8 ttp -60.9 -47.53 85.99 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 110.483 -0.191 . . . . 25.0 110.483 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.43 -37.54 83.17 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 122.147 -0.346 . . . . 50.0 111.299 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.77 -42.55 93.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.936 0.398 . . . . 25.0 110.134 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.0 -37.96 72.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.165 -0.334 . . . . 50.0 111.658 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.35 -37.92 73.33 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.258 0.551 . . . . 50.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -101.78 7.39 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.435 0.531 . . . . 50.0 112.435 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -77.38 -0.64 26.49 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.661 0.986 . . . . 50.0 113.661 -176.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -101.18 21.78 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.5 2.041 0 N-CA-C 116.231 1.937 . . . . 50.0 116.231 179.31 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 124.315 2.007 . . . . 25.0 116.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -84.29 95.41 1.92 Allowed Glycine 0 C--N 1.346 1.098 0 O-C-N 119.972 -1.705 . . . . 25.0 113.596 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -29.81 70.38 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.423 0.612 . . . . 25.0 112.139 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 8.3 m 51.39 52.95 13.72 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 117.452 2.39 . . . . 25.0 117.452 171.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.63 135.69 56.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.752 -0.832 . . . . 25.0 108.752 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 45.1 p -105.2 -5.55 20.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.733 1.383 . . . . 25.0 114.733 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -112.55 24.17 12.77 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.546 0.689 . . . . 25.0 110.979 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.6 m -88.1 159.18 18.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.467 . . . . 25.0 111.4 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.78 84.33 2.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 173.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -114.18 6.0 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 175.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -173.92 166.55 38.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 109.689 -1.364 . . . . 25.0 109.689 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.36 157.07 16.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.22 -25.53 63.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.149 0.499 . . . . 25.0 109.714 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 50.26 28.13 3.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -66.68 143.61 56.87 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.568 0.699 . . . . 25.0 109.958 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 49.1 t0 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 123.973 1.844 . . . . 25.0 112.301 176.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.427 1.64 . . . . 25.0 115.427 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -51.78 -50.6 60.42 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.361 -0.837 . . . . 25.0 112.188 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.7 m -59.76 -30.77 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -73.44 -38.17 65.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.669 -0.644 . . . . 50.0 109.669 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.58 -40.04 92.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.186 -0.672 . . . . 50.0 109.186 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -63.88 -37.24 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.874 0.324 . . . . 50.0 111.874 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -61.53 -43.9 98.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.489 -0.484 . . . . 50.0 110.217 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.22 -40.33 82.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.299 -0.63 . . . . 50.0 109.299 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.086 -0.384 . . . . 50.0 110.548 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.82 95.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.233 -0.284 . . . . 25.0 110.233 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.53 -39.59 91.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.981 0.419 . . . . 50.0 110.427 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.475 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 85.2 mt -65.49 -40.73 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.569 -0.707 . . . . 50.0 109.871 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.8 -38.85 86.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.023 -0.423 . . . . 50.0 110.244 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -78.35 -30.42 48.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.475 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 78.1 p -76.75 -22.51 53.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.855 0.687 . . . . 50.0 112.855 -172.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . 0.44 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.4 mt -114.71 47.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 50.0 110.648 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.07 160.15 15.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.731 0.412 . . . . 50.0 111.87 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 48.9 pt -75.82 -15.57 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.407 0.521 . . . . 50.0 112.407 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.15 -42.64 25.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -163.6 113.39 1.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 104.578 -2.379 . . . . 25.0 104.578 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . 0.44 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.2 tt -100.61 116.04 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.276 0.56 . . . . 50.0 112.265 -174.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -101.27 93.45 5.44 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 122.323 1.058 . . . . 25.0 110.51 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.4 -43.37 82.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.658 -1.155 . . . . 50.0 111.22 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.73 -42.26 86.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.067 -0.395 . . . . 50.0 111.69 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 50.0 111.758 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.75 -41.48 98.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.548 -0.461 . . . . 50.0 110.71 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.5 mt -65.88 -41.76 90.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.37 -46.9 86.53 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.116 0.484 . . . . 50.0 110.913 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.33 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 25.0 111.175 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.11 -36.76 85.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.122 -0.361 . . . . 50.0 110.537 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.19 -37.62 72.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.227 0.454 . . . . 50.0 112.227 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.11 -41.81 93.39 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.083 0.468 . . . . 50.0 110.337 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.45 77.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 50.0 110.327 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.15 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.231 -0.293 . . . . 25.0 111.314 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 26.5 t -79.69 -18.71 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 50.0 111.823 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.38 139.5 47.88 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.919 0.866 . . . . 50.0 113.17 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -83.45 71.1 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.914 -1.039 . . . . 25.0 109.666 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.02 118.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 50.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.7 p -76.4 160.28 29.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.6 ptm -57.27 -33.51 67.7 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.04 -42.59 84.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.186 0.517 . . . . 25.0 110.337 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.27 -34.64 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.828 -0.434 . . . . 50.0 109.828 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.85 89.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 25.0 110.227 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.03 -38.21 66.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.208 0.528 . . . . 25.0 111.326 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -67.04 -36.05 81.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -98.33 67.08 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.91 0.862 . . . . 50.0 110.429 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -22.77 60.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.151 -0.931 . . . . 25.0 111.183 -172.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.26 -29.08 64.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.572 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.936 -1.135 . . . . 50.0 107.936 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.05 -35.05 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.781 -0.645 . . . . 50.0 109.944 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -60.5 -42.93 97.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 22.4 m -62.87 -45.4 92.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 119.548 -0.263 . . . . 25.0 110.984 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.32 -39.17 72.33 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.347 0.594 . . . . 50.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.34 -34.86 79.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 50.0 111.82 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.03 -43.75 61.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.109 0.411 . . . . 50.0 112.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.11 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -10.98 17.84 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.499 -0.75 . . . . 50.0 111.81 176.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -81.03 -12.4 59.35 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 111.973 0.36 . . . . 50.0 111.973 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -67.74 80.46 0.19 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.062 1.134 . . . . 50.0 114.062 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -69.04 -23.36 64.05 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.926 1.29 . . . . 25.0 111.764 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -23.31 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.2 t -145.54 120.07 9.74 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -64.53 -29.89 70.92 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.673 -0.694 . . . . 50.0 110.513 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.44 -40.82 87.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 O-C-N 122.29 -0.256 . . . . 50.0 111.075 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.84 -43.51 82.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.671 -0.643 . . . . 50.0 111.059 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 ptm -69.8 -30.34 67.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 119.759 -0.776 . . . . 50.0 110.535 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -69.68 -46.14 66.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.675 -0.641 . . . . 50.0 110.858 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.32 -45.55 93.96 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 110.389 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 21.7 p -63.36 -38.24 90.37 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.183 -0.607 . . . . 25.0 111.021 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -40.05 88.59 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.087 -0.383 . . . . 25.0 110.39 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -43.37 98.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.319 . . . . 25.0 110.606 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.04 -38.0 81.99 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.173 -0.329 . . . . 50.0 110.239 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.28 -40.39 93.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.335 -0.393 . . . . 50.0 110.547 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.82 -41.12 97.93 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.45 0.167 . . . . 50.0 111.45 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.42 81.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.924 -0.311 . . . . 50.0 111.343 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -75.43 -21.4 58.21 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.096 -0.642 . . . . 50.0 111.562 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -87.24 61.91 6.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.37 1.081 . . . . 25.0 108.567 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 C--O 1.209 -1.035 0 CA-C-O 123.809 1.766 . . . . 50.0 114.594 -175.619 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 124.405 2.05 . . . . 25.0 115.453 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -172.67 43.07 0.17 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 119.791 -1.818 . . . . 25.0 113.271 -174.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -71.73 143.07 49.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 46.5 t -148.75 148.2 29.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.24 22.73 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 77.9 p -142.34 143.44 32.75 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.614 -175.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -95.68 -65.13 0.99 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.188 0.518 . . . . 25.0 111.861 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 21.7 t 59.45 85.58 0.1 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 74.67 70.96 0.1 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.048 1.339 . . . . 25.0 110.289 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.52 8.09 19.16 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 121.527 0.679 . . . . 25.0 109.429 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -169.29 -169.25 32.39 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-O 122.089 0.827 . . . . 25.0 114.693 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.91 150.55 51.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 101.658 -3.46 . . . . 25.0 101.658 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.4 mp0 54.13 44.01 29.82 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.652 1.215 . . . . 25.0 108.472 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -62.96 128.32 35.32 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 113.721 -1.581 . . . . 25.0 107.133 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -90.28 170.42 10.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.427 1.108 . . . . 25.0 110.742 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 39.4 t0 . . . . . 0 C--O 1.213 -0.839 0 CA-C-O 124.679 2.18 . . . . 25.0 111.223 176.311 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.67 -31.4 72.4 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.107 -1.62 . . . . 25.0 110.046 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -30.27 69.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.563 . . . . 25.0 111.318 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -68.58 -44.53 74.22 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.352 -0.61 . . . . 50.0 109.352 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.16 -41.63 97.07 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.727 0.299 . . . . 50.0 110.392 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.17 -37.75 86.39 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.902 -0.319 . . . . 50.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.39 -43.96 96.08 Favored 'General case' 0 C--O 1.211 -0.928 0 O-C-N 121.592 -0.693 . . . . 50.0 110.264 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.6 mt -64.4 -41.06 91.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.609 -0.515 . . . . 50.0 109.609 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -60.17 -40.9 91.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.793 -0.567 . . . . 50.0 111.251 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.56 -35.06 76.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 25.0 110.618 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.9 -30.23 71.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 119.447 -0.311 . . . . 50.0 110.372 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.75 -44.6 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -65.51 -40.52 93.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.663 -0.699 . . . . 50.0 110.388 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.74 -31.68 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 50.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 50.8 m -75.01 -22.66 58.37 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 113.216 0.821 . . . . 50.0 113.216 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.84 50.75 1.92 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.625 -0.88 . . . . 50.0 108.625 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -77.5 158.88 29.72 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 123.305 0.642 . . . . 50.0 111.78 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -35.29 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.456 0.539 . . . . 50.0 112.456 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.54 145.01 3.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 103.561 -2.755 . . . . 25.0 103.561 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 pp -145.84 152.55 39.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.922 0.783 . . . . 50.0 111.406 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.28 118.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.499 1.142 . . . . 25.0 112.275 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.35 -41.72 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 113.794 -1.548 . . . . 50.0 110.374 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.85 -39.27 80.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.909 -0.495 . . . . 50.0 111.993 -175.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.605 0.241 . . . . 50.0 110.569 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 16.8 t -66.08 -41.79 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.928 -0.309 . . . . 50.0 110.658 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.87 -43.35 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.47 -44.81 93.37 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 111.73 0.27 . . . . 50.0 111.73 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.19 89.19 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.489 0.662 . . . . 25.0 111.508 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.53 -33.1 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.027 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -33.35 57.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.417 -0.513 . . . . 50.0 112.312 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.72 -44.79 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.931 -0.766 . . . . 50.0 108.931 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -36.05 81.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.106 -0.331 . . . . 50.0 110.106 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.44 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.749 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.4 t -79.93 -23.29 41.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 50.0 112.004 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.47 146.94 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.495 0.664 . . . . 50.0 111.63 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.02 64.18 3.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.326 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.11 143.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.908 -0.775 . . . . 75.0 108.908 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.8 p -111.89 164.67 12.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 25.0 112.154 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 17.4 ttt -59.65 -38.31 81.06 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.218 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.39 -30.04 68.87 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.966 -0.694 . . . . 25.0 111.485 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -71.65 -37.32 70.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.562 -0.903 . . . . 50.0 108.562 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.61 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.9 91.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.96 0.41 . . . . 25.0 111.047 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.2 -25.42 64.32 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.984 -0.447 . . . . 25.0 112.151 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -118.84 44.43 2.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.412 -0.358 . . . . 50.0 110.522 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -63.89 -21.67 66.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.526 1.155 . . . . 25.0 108.613 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.85 -42.78 85.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.538 -0.755 . . . . 25.0 112.27 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -72.31 -25.31 61.52 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.551 -0.718 . . . . 50.0 110.583 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.22 -34.74 68.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 107.474 -1.306 . . . . 50.0 107.474 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -70.32 -38.25 74.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.175 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.4 m -62.1 -42.21 99.0 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.915 -0.491 . . . . 25.0 111.254 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.73 -35.81 75.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.879 0.309 . . . . 50.0 110.324 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.29 -33.85 76.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.744 -0.207 . . . . 50.0 111.038 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -66.59 -38.71 87.59 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.734 -0.604 . . . . 50.0 112.105 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.6 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 -171.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -10.91 30.25 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.175 -0.953 . . . . 50.0 111.549 172.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -80.77 -25.77 37.7 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 119.38 -0.343 . . . . 50.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -69.21 110.17 4.45 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.326 -0.991 . . . . 50.0 108.326 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -106.1 -7.1 18.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.29 1.589 . . . . 25.0 115.29 -172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.93 -30.84 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 50.0 111.022 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -135.79 120.78 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.83 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.686 0.625 . . . . 50.0 112.686 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.83 -32.85 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.585 0.707 . . . . 50.0 110.629 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.92 -47.95 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.862 -0.524 . . . . 50.0 110.243 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -70.01 -30.31 67.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.6 -0.84 . . . . 50.0 111.2 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.81 -41.98 58.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.106 -0.996 . . . . 50.0 111.309 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.47 -36.15 78.57 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.576 -0.703 . . . . 25.0 111.477 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.8 p -67.5 -37.24 82.52 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.944 -0.702 . . . . 25.0 109.981 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -67.84 -39.16 83.88 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -60.33 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.94 -43.73 98.23 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 122.19 -0.319 . . . . 50.0 111.372 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.45 -44.52 80.57 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.463 0.649 . . . . 25.0 110.55 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -70.11 -35.77 74.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.864 -0.523 . . . . 50.0 111.906 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -64.38 -34.19 77.58 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.36 -42.03 68.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 50.0 111.875 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -72.52 -10.45 59.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 119.968 -0.693 . . . . 50.0 112.137 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -69.53 -16.81 63.5 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.815 0.817 . . . . 25.0 110.752 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 75.8 mtm . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 125.057 2.36 . . . . 50.0 112.162 178.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 N--CA 1.511 2.623 0 N-CA-C 116.127 1.899 . . . . 25.0 116.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -85.07 42.33 3.14 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 120.535 -1.353 . . . . 25.0 112.649 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.69 147.83 47.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 50.0 m -99.77 133.05 44.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.41 140.45 50.57 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 103.598 -2.741 . . . . 25.0 103.598 168.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 8.9 t -172.72 -2.66 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -93.72 80.7 4.24 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.077 -1.014 . . . . 25.0 112.188 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 2.8 m -102.14 161.72 13.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.301 1.593 . . . . 25.0 115.301 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -88.86 107.82 19.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -55.3 14.74 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 119.887 3.292 . . . . 25.0 119.887 -174.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 164.16 67.93 0.02 OUTLIER Glycine 0 C--N 1.325 -0.07 0 N-CA-C 116.956 1.542 . . . . 25.0 116.956 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.1 -31.18 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 173.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.81 -79.62 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 119.024 -0.513 . . . . 25.0 111.541 -177.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.13 170.56 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -126.32 158.35 36.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.156 0.503 . . . . 25.0 109.816 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 125.526 2.584 . . . . 25.0 112.743 -179.643 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.04 -46.82 75.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.97 0.908 . . . . 25.0 109.504 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 p -60.99 -29.35 69.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.53 -39.16 62.53 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 121.396 -0.815 . . . . 50.0 109.842 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.608 -0.515 . . . . 75.0 109.608 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -62.82 -40.54 97.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.745 0.307 . . . . 50.0 111.009 176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -63.21 -43.66 97.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 50.0 111.076 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.57 -41.27 88.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.567 -0.531 . . . . 50.0 109.567 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -57.77 -42.03 83.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.088 -0.383 . . . . 50.0 111.508 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.88 97.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 25.0 110.351 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -63.65 -35.8 81.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.408 . . . . 50.0 110.734 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.458 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 92.8 mt -66.45 -39.14 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.047 -0.408 . . . . 50.0 110.185 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -65.17 -37.61 87.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.054 -0.658 . . . . 50.0 110.258 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -76.26 -34.26 59.14 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.458 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 88.4 p -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.515 0.932 . . . . 50.0 113.515 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 83.0 mt -135.28 30.86 3.23 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.984 0.421 . . . . 50.0 111.309 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -68.04 163.05 23.19 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 120.668 0.271 . . . . 50.0 110.7 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 36.5 pt -93.31 -7.62 10.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 116.722 -0.217 . . . . 50.0 110.827 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.77 -33.1 25.09 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.573 0.702 . . . . 25.0 111.983 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 11.6 t30 175.21 144.37 0.06 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 102.309 -3.219 . . . . 25.0 102.309 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.79 154.9 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.76 1.392 . . . . 50.0 114.76 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -104.47 101.6 11.27 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.65 -0.704 . . . . 25.0 110.732 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.36 -44.54 75.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.382 -0.372 . . . . 50.0 111.044 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -66.05 -37.48 85.94 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.072 0.767 . . . . 50.0 113.072 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.64 -34.54 78.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.318 0.508 . . . . 50.0 110.249 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.91 -43.43 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 50.0 110.193 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.76 -43.8 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.687 -0.486 . . . . 50.0 109.687 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.43 -39.08 93.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.087 0.47 . . . . 50.0 111.138 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.964 0.411 . . . . 25.0 110.428 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.65 -42.52 91.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.274 -0.421 . . . . 50.0 110.218 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.33 -39.48 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 50.0 111.858 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.05 -42.08 93.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.796 0.331 . . . . 50.0 110.492 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -35.9 77.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.045 0.45 . . . . 50.0 110.543 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.27 75.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -12.76 59.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 136.71 52.97 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.292 1.044 . . . . 50.0 113.492 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -83.24 60.06 5.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.34 -1.3 . . . . 25.0 108.858 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.62 139.81 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.388 -0.824 . . . . 50.0 109.679 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 60.5 p -81.01 162.3 23.88 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.114 0.483 . . . . 25.0 110.375 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.6 ttt -61.48 -41.24 96.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.601 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.25 -34.72 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.154 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -68.78 -39.15 80.34 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.167 -0.613 . . . . 50.0 110.26 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.08 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -64.26 -33.49 75.94 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 122.454 0.301 . . . . 25.0 111.682 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -75.72 -28.94 58.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -101.57 46.96 0.92 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.043 0.386 . . . . 50.0 112.043 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m -64.36 -27.41 69.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.95 0.881 . . . . 25.0 109.414 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.99 -33.37 74.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.392 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -64.69 -34.4 78.21 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.601 -0.687 . . . . 50.0 109.486 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.9 mm -67.79 -35.04 71.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -63.52 -40.28 96.62 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.125 -0.36 . . . . 25.0 110.034 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 9.3 m -59.63 -49.16 78.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.52 -46.68 88.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.12 0.486 . . . . 50.0 110.618 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -49.79 -40.97 43.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.312 0.856 . . . . 50.0 113.312 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -61.63 -44.36 97.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.003 0.742 . . . . 50.0 113.003 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 23.4 mt -54.41 -18.05 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -57.59 -21.81 41.19 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.907 -1.12 . . . . 50.0 112.287 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -82.43 -7.75 59.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.521 0.934 . . . . 50.0 113.521 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -74.73 72.34 2.0 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 106.826 -1.546 . . . . 50.0 106.826 166.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -72.65 -2.03 18.51 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.788 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.11 -29.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.518 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 46.5 t -124.88 120.15 30.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -72.95 -30.24 63.71 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.402 -0.817 . . . . 50.0 111.1 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.66 -39.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.681 -0.637 . . . . 50.0 110.705 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.42 -43.79 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.465 -0.494 . . . . 50.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.82 -27.86 64.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 119.398 -0.921 . . . . 50.0 111.113 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.61 -45.92 77.57 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.619 -0.676 . . . . 50.0 110.218 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.59 -38.95 92.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 50.3 m -60.67 -35.94 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.226 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' THR . . . . . 0.471 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 38.4 m -68.17 -37.03 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.979 -0.45 . . . . 25.0 111.449 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.1 -42.74 99.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.41 -37.69 74.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 119.308 -0.377 . . . . 50.0 111.657 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 24.4 m-85 -57.48 -42.66 83.09 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 50.0 112.636 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.62 -36.04 82.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 50.0 110.558 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.24 21.17 17.82 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -71.36 -11.5 60.93 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.287 1.217 . . . . 50.0 114.287 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -160.97 -56.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 122.53 1.157 . . . . 25.0 108.004 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.86 2.266 . . . . 50.0 112.685 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 123.189 1.471 . . . . 25.0 114.142 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -88.06 164.2 33.67 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.919 -1.113 . . . . 25.0 113.4 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -87.39 162.73 17.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.11 0.481 . . . . 25.0 111.853 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 12.3 m -79.8 57.02 2.43 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.975 0.51 . . . . 25.0 111.205 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.95 58.96 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 1.2 p -141.86 -53.35 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.571 -0.706 . . . . 25.0 112.897 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -96.75 138.4 34.37 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.74 1.385 . . . . 25.0 114.74 -174.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 70.8 m -135.11 -30.96 1.02 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-N 114.84 -1.073 . . . . 25.0 112.184 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1397 ' ' PHE . . . . . 0.496 ' CZ ' ' HA ' ' B' ' 403' ' ' ILE . 1.6 t80 -99.39 -18.55 17.44 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 57.95 70.92 0.61 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.478 1.132 . . . . 25.0 110.415 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.59 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 108.753 -1.739 . . . . 25.0 108.753 -171.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 23.4 t80 -99.29 10.05 42.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.871 0.835 . . . . 25.0 111.353 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -158.05 -53.74 0.07 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 169.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -159.29 -0.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.936 -0.574 . . . . 25.0 112.265 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -159.95 165.7 31.54 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 123.7 1.714 . . . . 25.0 111.541 174.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -62.73 -36.85 84.33 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.792 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.2 t -60.1 -42.1 93.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.948 0.404 . . . . 25.0 111.419 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -66.27 -41.39 89.95 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.915 -0.714 . . . . 50.0 109.267 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.88 -40.35 92.67 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.299 -0.41 . . . . 50.0 111.006 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -59.42 -41.37 89.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.213 -0.304 . . . . 50.0 111.511 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -62.9 -44.46 96.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.14 -43.67 98.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.359 -0.608 . . . . 50.0 109.359 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -61.07 -38.05 84.85 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.975 0.416 . . . . 50.0 111.204 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.69 80.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.882 0.372 . . . . 25.0 110.022 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.73 -41.91 90.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 107.621 -1.252 . . . . 50.0 107.621 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -73.21 -43.3 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.91 -0.494 . . . . 50.0 111.413 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.17 -41.06 97.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.598 0.592 . . . . 50.0 112.598 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.9 p -73.35 -11.39 60.47 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 64.0 mt -114.56 15.83 17.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.823 0.344 . . . . 50.0 111.363 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -77.77 142.88 38.38 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 107.896 -1.15 . . . . 50.0 107.896 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 34.4 pt -68.27 -12.87 16.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.761 0.791 . . . . 50.0 111.473 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.07 -36.1 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.609 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -168.42 65.75 0.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.634 -0.876 . . . . 25.0 108.634 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 125.19 26.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.442 . . . . 50.0 112.178 -173.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -128.42 103.29 7.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.292 1.044 . . . . 25.0 110.575 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.43 -39.96 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 114.653 -1.158 . . . . 50.0 111.002 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.82 -43.97 82.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 120.831 0.348 . . . . 50.0 110.384 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.22 -31.73 72.74 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.44 -0.504 . . . . 50.0 111.982 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.9 t -62.75 -43.26 99.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -43.77 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.462 -0.336 . . . . 50.0 110.489 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -39.23 92.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 122.059 -0.401 . . . . 50.0 111.854 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.83 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.453 0.644 . . . . 25.0 110.313 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.58 -37.5 73.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.405 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.5 -32.08 64.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.295 0.85 . . . . 50.0 113.295 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.78 -25.53 61.2 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 120.987 -1.071 . . . . 50.0 108.938 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -39.36 75.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.236 -1.024 . . . . 50.0 108.236 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.57 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.567 0.347 . . . . 25.0 111.845 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 13.5 t -79.29 -18.49 52.57 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.634 0.73 . . . . 50.0 109.762 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.35 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.147 0.499 . . . . 50.0 109.75 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.15 79.24 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.24 156.17 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.244 -0.889 . . . . 50.0 110.934 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.1 p -78.22 161.52 27.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -63.5 -26.1 68.56 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.735 0.302 . . . . 25.0 110.778 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.31 -39.77 94.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 25.0 109.908 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.57 -35.47 67.97 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.86 -0.422 . . . . 50.0 109.86 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.99 92.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.53 -36.07 68.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 25.0 111.253 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.67 -31.99 73.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.557 0.694 . . . . 25.0 109.634 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -114.21 50.67 0.92 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.596 -0.729 . . . . 50.0 110.646 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 95.7 m -63.62 -22.76 67.07 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.122 0.963 . . . . 25.0 108.741 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.58 -33.46 68.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.353 -0.84 . . . . 25.0 112.425 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.87 -36.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.806 -0.559 . . . . 50.0 109.835 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.44 -39.96 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.9 m -63.75 -44.56 93.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.506 -0.554 . . . . 25.0 109.506 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 47.9 m -60.27 -45.46 93.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.057 0.392 . . . . 25.0 112.057 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.15 -35.77 76.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.41 0.624 . . . . 50.0 111.793 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -64.28 -34.79 78.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.528 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -72.29 -44.96 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.492 1.293 . . . . 50.0 114.492 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.496 ' HA ' ' CZ ' ' A' 1397 ' ' PHE . 0.1 OUTLIER -57.94 -13.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -176.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.06 -17.01 50.12 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.858 0.688 . . . . 50.0 112.858 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.36 -15.88 51.21 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.143 0.794 . . . . 50.0 113.143 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' 1397 ' ' PHE . 25.1 t80 -48.6 117.66 2.14 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.988 0.423 . . . . 50.0 110.485 174.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -96.03 -36.35 11.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.092 1.886 . . . . 25.0 116.092 -164.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.23 -9.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 114.991 1.478 . . . . 75.0 114.991 -170.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.3 t -143.75 120.45 11.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.4 0.619 . . . . 25.0 110.495 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -76.06 -9.78 58.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 50.0 111.65 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.35 -41.94 86.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.603 -0.686 . . . . 50.0 109.777 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.58 -42.43 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 122.372 -0.205 . . . . 50.0 111.504 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.6 ptm -65.95 -33.47 75.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.526 -0.734 . . . . 50.0 110.531 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -72.38 -44.38 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.471 0.545 . . . . 50.0 112.471 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -63.05 -39.36 94.51 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.664 -0.648 . . . . 25.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.2 p -70.23 -39.98 74.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 2.3 t -72.96 -28.81 62.63 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.818 -0.551 . . . . 25.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.5 ttp -60.81 -48.91 79.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.941 0.4 . . . . 25.0 110.216 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.66 -43.36 93.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 50.0 110.03 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -57.36 -40.44 78.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.13 -0.487 . . . . 25.0 110.737 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.06 -42.08 89.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.618 -0.265 . . . . 50.0 111.461 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.0 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.976 -0.29 . . . . 50.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -74.96 -32.17 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.989 1.107 . . . . 50.0 113.989 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -77.57 -17.98 57.35 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.586 -0.696 . . . . 50.0 111.536 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -135.65 75.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.991 0.9 . . . . 25.0 109.585 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.209 -1.065 0 CA-C-O 124.629 2.157 . . . . 50.0 112.339 179.115 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.513 2.687 0 N-CA-C 116.555 2.057 . . . . 25.0 116.555 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -163.65 169.0 38.5 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 119.914 -1.741 . . . . 25.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.72 157.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.179 0.514 . . . . 25.0 110.904 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 19.5 m -93.63 37.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.642 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -70.79 -30.91 67.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.959 -0.463 . . . . 25.0 111.689 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 37.3 p -78.21 -9.38 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.046 0.451 . . . . 25.0 111.592 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.93 52.61 2.46 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 80.6 p -134.07 170.23 15.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -101.39 -56.45 2.3 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 18.6 t80 63.14 -43.36 0.21 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.444 2.387 . . . . 25.0 117.444 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -177.16 -179.81 47.67 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.055 -1.618 . . . . 25.0 109.055 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.11 -7.87 41.22 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.833 1.049 . . . . 25.0 113.833 -177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.33 -12.64 61.4 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.67 -6.8 8.58 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.518 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -97.99 7.35 46.47 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 121.787 -0.571 . . . . 25.0 110.993 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 N--CA 1.5 2.035 0 C-N-CA 126.393 1.877 . . . . 25.0 114.549 -178.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.312 1.529 . . . . 25.0 114.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.32 -36.78 85.23 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.073 -0.967 . . . . 25.0 111.357 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.1 m -61.71 -30.91 71.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.509 0.671 . . . . 25.0 111.05 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -77.49 -36.41 52.72 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.778 -0.576 . . . . 50.0 110.589 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.26 -38.5 85.23 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.64 -0.424 . . . . 50.0 110.209 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.66 -42.36 98.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.066 -0.254 . . . . 50.0 110.347 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.29 -44.83 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.184 -0.322 . . . . 50.0 111.479 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -41.25 86.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.01 -41.22 96.12 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.045 -0.409 . . . . 50.0 112.043 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.02 87.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.622 0.725 . . . . 25.0 110.587 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.63 -28.61 69.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 50.0 112.125 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.91 -45.95 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 121.727 0.775 . . . . 50.0 110.423 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.48 -35.12 78.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.297 -0.561 . . . . 50.0 111.72 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . 0.415 ' HA ' ' HE3' ' B' ' 364' ' ' LYS . 87.3 m-20 -70.1 -32.79 70.99 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.885 0.698 . . . . 50.0 112.885 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 56.6 p -88.04 -5.6 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.17 1.174 . . . . 50.0 114.17 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.8 41.97 3.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.381 0.61 . . . . 50.0 111.537 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' B' ' 361' ' ' ASN . 99.4 mttt -71.12 172.55 8.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.849 -0.614 . . . . 50.0 109.884 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.907 0 N-CA-C 115.037 1.495 . . . . 50.0 115.037 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.53 -36.19 16.53 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.911 1.449 . . . . 25.0 114.911 -170.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.39 105.3 5.9 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 2.1 pp -133.76 154.89 50.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.445 -0.576 . . . . 50.0 109.445 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -117.84 105.2 11.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.263 0.554 . . . . 25.0 110.863 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.92 -45.01 87.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 114.969 -1.014 . . . . 50.0 111.999 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -71.46 -36.68 71.28 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.15 -0.62 . . . . 50.0 110.399 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -62.96 -34.75 78.18 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.864 -0.522 . . . . 50.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.81 -41.23 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.371 0.605 . . . . 50.0 110.437 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -46.52 94.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.398 -0.819 . . . . 50.0 109.106 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.73 -44.59 93.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.118 0.485 . . . . 50.0 111.337 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.89 97.51 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.253 0.549 . . . . 25.0 110.568 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.49 -41.37 76.2 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.897 -0.502 . . . . 50.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.29 -37.56 83.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.948 0.34 . . . . 50.0 111.711 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -64.06 -39.89 95.06 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.531 -0.731 . . . . 50.0 109.881 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -32.08 73.48 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.278 0.561 . . . . 50.0 110.676 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.38 71.93 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.515 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 24.9 m -79.56 -20.78 46.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 114.217 1.191 . . . . 50.0 114.217 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.53 131.06 41.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.34 0.591 . . . . 50.0 112.121 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.12 55.97 3.32 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.686 0.755 . . . . 25.0 109.704 174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.79 134.73 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.8 p -81.87 160.22 23.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.274 0.559 . . . . 25.0 112.003 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -62.34 -28.36 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.87 -33.95 68.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.278 0.561 . . . . 25.0 111.006 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -78.85 -35.28 44.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.299 -0.876 . . . . 50.0 110.328 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.69 68.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.704 0.402 . . . . 25.0 110.986 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.6 -32.26 65.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.96 0.504 . . . . 25.0 112.248 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.04 -7.04 53.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.29 43.09 3.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.29 -0.414 . . . . 50.0 112.063 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -64.6 -29.01 70.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.939 0.876 . . . . 25.0 109.706 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -62.77 -35.75 80.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.794 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.48 -31.17 71.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.194 0.521 . . . . 50.0 110.077 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.41 -38.33 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -64.42 -40.87 96.6 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.6 m -60.79 -45.07 95.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 119.602 -0.237 . . . . 25.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.17 -38.93 71.58 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.1 0.476 . . . . 50.0 110.602 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.83 -31.63 72.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 50.0 112.074 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.54 -36.84 71.11 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.21 0.459 . . . . 50.0 111.217 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.51 -17.57 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -171.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -12.52 15.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.777 -1.202 . . . . 50.0 112.79 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.25 -14.17 50.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.28 95.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.505 -0.747 . . . . 50.0 112.134 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -100.03 6.11 45.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.93 -24.85 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.695 -0.854 . . . . 50.0 108.695 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -150.85 119.98 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.39 -25.25 64.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 50.0 111.609 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.91 -37.44 54.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-O 121.79 0.805 . . . . 50.0 110.48 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.11 -42.21 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 121.948 -0.47 . . . . 50.0 112.16 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -68.54 -30.98 69.89 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.518 -0.739 . . . . 50.0 110.438 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -67.61 -52.49 37.74 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.46 -41.76 98.61 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.137 -0.352 . . . . 25.0 111.64 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.2 p -64.92 -36.89 85.84 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.744 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 59.3 m -65.57 -39.44 91.67 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.58 -43.14 97.85 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 122.135 -0.353 . . . . 25.0 110.714 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.2 -38.21 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.144 -0.347 . . . . 50.0 111.568 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -62.11 -38.61 89.53 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -67.89 -32.86 73.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.174 0.435 . . . . 50.0 112.174 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.02 -33.4 74.29 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -101.03 23.58 10.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.243 1.571 . . . . 50.0 115.243 -177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.49 -26.28 68.46 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 172.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.49 97.47 11.21 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 169.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 118.438 2.755 . . . . 50.0 118.438 -171.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -97.67 178.81 32.71 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 121.102 -0.998 . . . . 25.0 112.34 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -127.29 151.1 49.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 14.0 m 53.77 26.04 5.67 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.645 1.35 . . . . 25.0 114.645 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.76 -32.05 68.91 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 9.0 t -136.99 26.92 2.96 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.685 0.755 . . . . 25.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.73 127.25 32.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.681 0.753 . . . . 25.0 110.772 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 42.4 p -154.92 -177.53 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.22 112.86 6.07 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 172.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -56.54 99.1 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.248 -0.887 . . . . 25.0 112.106 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 127.93 10.21 3.59 Favored Glycine 0 C--O 1.242 0.623 0 CA-C-N 116.48 -0.327 . . . . 25.0 112.716 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.26 28.83 7.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.558 0.694 . . . . 25.0 110.816 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -81.15 57.28 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -75.55 124.6 27.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.574 -171.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 55.7 38.31 29.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.08 -0.964 . . . . 25.0 111.746 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 123.447 1.594 . . . . 25.0 111.23 177.061 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.38 -57.59 11.61 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.061 -1.024 . . . . 25.0 113.061 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.5 m -64.77 -28.23 69.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.829 -0.545 . . . . 25.0 112.46 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -66.19 -46.93 75.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.41 -37.98 71.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.673 -177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -55.36 -47.02 76.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.636 0.255 . . . . 50.0 110.433 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -63.83 -44.8 92.14 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.623 -0.431 . . . . 50.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.24 -43.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.78 -40.44 92.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.621 0.248 . . . . 50.0 111.28 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.9 87.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.858 0.361 . . . . 25.0 110.568 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.99 -30.2 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.358 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.65 -44.82 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.08 -41.01 67.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.66 -0.496 . . . . 50.0 109.66 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -37.53 87.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.197 0.443 . . . . 50.0 112.197 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.7 p -77.59 -10.64 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.453 1.279 . . . . 50.0 114.453 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.22 15.83 11.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.063 0.394 . . . . 50.0 112.063 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -81.85 157.04 24.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 50.0 111.007 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.82 -21.11 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.231 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.06 -33.42 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.576 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -170.42 95.35 0.23 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.514 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.47 116.09 16.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -127.54 92.88 3.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.789 1.28 . . . . 25.0 109.905 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.09 -41.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.112 -1.403 . . . . 50.0 111.19 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.43 -38.6 74.6 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.857 -0.337 . . . . 50.0 111.155 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -61.21 -37.83 84.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.007 0.432 . . . . 50.0 110.635 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.4 t -65.14 -42.68 93.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.329 -0.396 . . . . 50.0 110.305 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.88 -43.85 97.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.734 0.302 . . . . 50.0 110.707 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.44 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.33 0.586 . . . . 25.0 110.728 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.26 -38.51 75.13 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.943 -0.473 . . . . 50.0 111.005 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -74.81 -26.92 60.06 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.953 -0.467 . . . . 50.0 111.327 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.89 -41.77 92.32 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.018 -1.104 . . . . 50.0 108.018 170.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -37.49 81.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.71 -24.9 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 25.0 111.439 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.0 m -84.0 -8.34 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.496 . . . . 50.0 111.529 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.0 mt -96.77 136.08 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.709 . . . . 50.0 110.874 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.17 62.14 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.623 0.725 . . . . 25.0 110.947 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.08 121.02 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.1 p -87.21 165.74 15.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.779 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 19.9 ptp -62.29 -26.54 68.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.624 0.249 . . . . 25.0 111.257 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.75 -39.7 80.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 25.0 110.207 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.02 -34.35 61.89 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.65 74.05 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 122.181 -0.325 . . . . 25.0 110.581 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.39 -20.61 66.45 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.85 -15.16 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.415 0.626 . . . . 25.0 110.775 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -127.86 45.0 2.82 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.162 -1.422 . . . . 50.0 107.162 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -26.73 66.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 122.303 1.049 . . . . 25.0 111.013 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -69.19 -29.04 66.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.577 -1.192 . . . . 25.0 111.253 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.7 ttp -67.83 -31.97 72.18 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.376 -0.972 . . . . 50.0 108.376 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.39 -35.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.3 m -62.19 -41.43 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.4 m -62.83 -45.73 91.22 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.151 -0.343 . . . . 25.0 110.915 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.72 -36.24 76.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.481 0.658 . . . . 50.0 111.059 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -61.77 -34.5 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.803 -0.635 . . . . 50.0 110.808 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.83 -55.31 5.95 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -25.71 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 116.515 2.043 . . . . 25.0 116.515 -164.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -62.02 -10.86 11.03 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.816 1.043 . . . . 50.0 113.816 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -81.09 -17.47 49.91 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -49.62 107.5 0.15 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.475 0.655 . . . . 50.0 112.388 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -65.69 -31.95 73.24 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.116 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.53 7.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 115.422 1.638 . . . . 50.0 115.422 -163.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.0 t -148.42 119.95 7.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.92 0.867 . . . . 25.0 112.619 173.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.61 -24.2 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.957 -1.02 . . . . 50.0 110.61 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.97 -39.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 121.869 -0.519 . . . . 50.0 109.629 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.02 -42.23 95.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.916 -0.772 . . . . 50.0 108.916 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.67 -30.63 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.077 -1.049 . . . . 50.0 112.28 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -46.76 60.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.685 0.675 . . . . 50.0 110.047 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.62 -47.37 85.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.258 0.552 . . . . 25.0 111.588 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 44.4 p -65.42 -36.52 84.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.633 -0.427 . . . . 25.0 111.01 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.9 m -69.54 -41.87 75.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.968 -0.458 . . . . 25.0 110.262 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 22.7 ttt -58.16 -51.34 70.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.995 0.426 . . . . 25.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.62 -43.88 88.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.395 -0.366 . . . . 50.0 111.406 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.08 -43.03 95.77 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.525 -0.47 . . . . 25.0 110.218 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -64.56 -39.73 94.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.161 -0.337 . . . . 50.0 111.034 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.87 -45.12 90.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -82.15 -29.76 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.588 1.329 . . . . 50.0 114.588 -175.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -20.34 62.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.427 0.558 . . . . 50.0 110.417 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -88.42 76.63 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.303 1.049 . . . . 25.0 109.377 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 68.2 mtp . . . . . 0 C--O 1.213 -0.836 0 CA-C-O 125.23 2.443 . . . . 50.0 112.623 -175.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.502 2.155 0 CA-C-O 125.699 2.666 . . . . 25.0 114.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -166.54 167.66 39.64 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 108.072 -2.011 . . . . 25.0 108.072 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.79 -47.49 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.877 0.839 . . . . 25.0 111.719 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 23.2 t -164.6 131.3 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.44 0.162 . . . . 25.0 111.227 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -143.81 151.76 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 106.215 -1.772 . . . . 25.0 106.215 172.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.82 43.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.345 -0.222 . . . . 25.0 110.897 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.2 tp10 72.0 135.59 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.391 1.476 . . . . 25.0 111.446 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 38.7 t -138.39 150.61 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.89 -0.506 . . . . 25.0 110.211 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 69.7 t80 -125.29 -3.14 7.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.303 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.87 139.59 57.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 97.08 64.59 0.91 Allowed Glycine 0 CA--C 1.521 0.416 0 CA-C-O 122.224 0.902 . . . . 25.0 110.952 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -32.08 70.56 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.832 -0.805 . . . . 25.0 109.918 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -127.03 169.29 13.52 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.535 -1.654 . . . . 25.0 106.535 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -80.24 157.92 26.35 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.284 0.365 . . . . 25.0 111.347 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 64.72 -179.64 0.18 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.656 1.183 . . . . 25.0 112.693 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 124.696 2.189 . . . . 25.0 111.198 -177.004 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 116.22 1.933 . . . . 25.0 116.22 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -52.81 -55.09 25.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.473 1.109 . . . . 25.0 112.78 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.3 m -65.48 -28.09 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.94 -43.02 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.24 -37.53 85.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.639 -0.255 . . . . 50.0 110.503 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.69 -45.05 86.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.21 -0.196 . . . . 50.0 110.537 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -65.04 -43.92 90.78 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.816 -0.353 . . . . 50.0 111.517 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.15 -44.73 99.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -58.83 -43.15 90.62 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.127 -0.358 . . . . 50.0 110.74 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.2 -40.32 94.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.638 0.256 . . . . 25.0 110.734 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 50.0 110.078 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.419 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 84.6 mt -66.25 -41.65 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.947 -0.47 . . . . 50.0 109.985 178.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -61.44 -28.54 69.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.904 0.335 . . . . 50.0 111.904 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -95.24 -20.74 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.419 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 97.3 p -68.56 -25.95 65.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.638 0.977 . . . . 50.0 113.638 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.04 48.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.389 0.614 . . . . 50.0 110.562 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.69 170.5 8.13 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.681 -0.691 . . . . 50.0 112.402 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.57 -35.27 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.76 -1.109 . . . . 50.0 108.361 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.18 -39.94 64.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.915 0.886 . . . . 25.0 112.173 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -173.54 130.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.14 111.05 22.57 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.357 0.599 . . . . 50.0 109.801 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -105.07 84.79 2.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.31 -47.03 78.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.872 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -70.78 -33.67 70.99 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 113.571 0.952 . . . . 50.0 113.571 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -59.54 -38.84 82.12 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.171 -0.677 . . . . 50.0 109.171 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.52 -44.31 94.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 50.0 110.64 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.51 -47.39 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.391 -0.225 . . . . 50.0 110.391 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.17 -44.2 97.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.192 0.52 . . . . 50.0 111.159 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.59 99.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 25.0 110.489 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.13 -36.12 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.47 -0.332 . . . . 50.0 110.435 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -36.72 61.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -68.15 -34.43 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 118.483 -1.287 . . . . 50.0 107.692 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.8 -31.58 72.62 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.029 0.442 . . . . 50.0 110.758 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.61 69.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.436 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 m -84.01 -21.21 31.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.99 143.05 50.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -79.3 68.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.631 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 118.28 23.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.559 -0.904 . . . . 50.0 108.559 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.3 p -80.41 165.63 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.794 0.331 . . . . 25.0 110.251 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -60.74 -32.17 71.47 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 122.09 -0.381 . . . . 25.0 111.83 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.47 -35.88 80.05 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.771 -0.58 . . . . 25.0 110.494 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -69.37 -37.67 77.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.41 93.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.264 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -63.98 -42.13 97.32 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -66.9 -36.06 81.42 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.494 0.664 . . . . 25.0 110.902 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -104.16 45.37 0.96 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.656 -0.702 . . . . 50.0 109.477 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 93.6 m -67.58 -27.04 66.6 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.87 -29.02 69.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.12 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.5 ttp -69.88 -28.82 65.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.49 -38.53 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.089 -1.078 . . . . 50.0 108.089 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -62.31 -41.61 98.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.3 m -61.28 -46.16 91.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 119.279 -0.391 . . . . 25.0 111.626 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.25 -39.08 81.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.321 0.581 . . . . 50.0 110.129 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.531 . . . . 50.0 111.005 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -63.56 -37.65 88.14 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.356 . . . . 50.0 111.96 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.6 mt -61.07 -15.4 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 114.131 1.159 . . . . 25.0 114.131 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -60.02 -11.87 6.8 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.85 -1.156 . . . . 50.0 113.649 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -81.07 -22.23 39.4 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 122.063 -0.398 . . . . 50.0 111.12 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -75.84 89.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -98.25 4.27 48.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.121 0.486 . . . . 25.0 110.621 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.41 -29.69 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 50.0 110.179 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -147.05 120.11 8.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.039 0.447 . . . . 25.0 110.202 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -70.05 -26.67 64.13 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.823 1.416 . . . . 50.0 114.823 -174.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.07 -32.95 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.423 0.63 . . . . 50.0 111.195 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.14 -40.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 121.892 -0.505 . . . . 50.0 110.62 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 ptp -71.01 -30.8 67.13 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 119.234 -0.987 . . . . 50.0 110.326 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.13 -46.46 77.43 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.942 0.401 . . . . 50.0 110.535 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -64.67 -45.59 86.08 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.014 -0.429 . . . . 25.0 110.594 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 57.2 p -68.52 -35.23 77.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 5.6 t -72.97 -31.97 64.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.99 0.814 . . . . 25.0 110.181 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -65.69 -42.59 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.13 -43.36 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 50.0 111.315 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -55.48 -40.73 72.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.935 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -71.28 -31.67 67.75 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.519 0.562 . . . . 50.0 112.519 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.82 -38.0 82.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.647 -0.658 . . . . 50.0 110.19 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -85.26 10.51 12.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.346 0.869 . . . . 50.0 113.346 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -76.87 39.91 0.23 Allowed 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.407 0.891 . . . . 50.0 113.407 -177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 55.79 45.31 24.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.499 1.12 . . . . 25.0 112.76 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 119.031 2.975 . . . . 50.0 119.031 173.353 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 124.222 1.963 . . . . 25.0 114.669 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -157.96 34.97 0.53 Allowed Glycine 0 C--N 1.347 1.156 0 O-C-N 120.175 -1.578 . . . . 25.0 112.042 -179.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -102.29 166.56 10.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.609 0.242 . . . . 25.0 110.88 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 49.6 m -79.72 143.99 34.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.992 0.368 . . . . 25.0 111.992 -178.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -134.76 139.03 44.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 -177.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 13.3 t -157.35 146.65 20.09 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 121.232 0.539 . . . . 25.0 112.336 178.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -121.61 19.7 11.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 38.0 p -57.5 -43.3 84.06 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.719 1.378 . . . . 25.0 114.719 -170.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -166.13 117.28 1.02 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 105.507 -2.034 . . . . 25.0 105.507 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.39 -19.69 1.08 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 175.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -136.21 146.75 18.74 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -28.24 36.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.509 0.671 . . . . 25.0 111.591 -178.005 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.45 -32.13 42.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.465 -1.243 . . . . 25.0 109.141 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.62 -37.88 77.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 122.419 1.104 . . . . 25.0 110.051 176.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -74.65 91.46 2.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.69 -1.141 . . . . 25.0 110.008 -179.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 125.0 2.333 . . . . 25.0 115.079 176.775 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.6 tpt . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.51 -41.83 66.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.778 1.231 . . . . 25.0 110.909 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.6 m -65.09 -29.82 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -77.61 -40.48 41.86 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.028 -0.73 . . . . 50.0 109.028 177.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 178.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -60.43 -43.39 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.005 0.366 . . . . 50.0 111.181 173.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -39.71 95.11 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.905 -0.318 . . . . 50.0 111.158 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.14 -43.33 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -58.85 -42.88 90.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.009 -0.432 . . . . 50.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.71 96.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.01 -41.69 99.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.258 -0.275 . . . . 50.0 110.258 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.59 -44.4 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.845 -0.535 . . . . 50.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -62.75 -34.08 76.48 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.43 -0.508 . . . . 50.0 112.146 179.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -88.41 -11.12 46.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.689 0.625 . . . . 50.0 112.689 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 89.4 p -77.51 -30.74 53.12 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.53 -0.732 . . . . 50.0 111.198 -178.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.71 63.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.012 -0.736 . . . . 50.0 109.012 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -111.38 152.79 26.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.12 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 115.377 1.621 . . . . 50.0 115.377 -174.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.54 -32.88 73.9 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -172.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -161.12 94.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.06 117.99 22.67 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.79 -0.764 . . . . 50.0 112.265 -175.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -100.81 83.0 2.48 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.503 -175.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.5 t -53.29 -46.54 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 50.0 112.707 -177.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -68.77 -36.43 78.32 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.604 0.594 . . . . 50.0 112.604 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.445 HH21 ' CD ' ' B' ' 375' ' ' GLU . 2.1 mmp_? -63.07 -32.33 73.68 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.554 -0.458 . . . . 50.0 110.616 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.7 -47.06 82.67 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.58 -0.448 . . . . 50.0 109.805 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.43 -44.84 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 372' ' ' ARG . 47.8 mt-10 -61.67 -44.67 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.504 0.193 . . . . 50.0 111.483 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.052 -0.405 . . . . 25.0 111.006 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.14 -41.17 90.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.297 -0.631 . . . . 50.0 109.297 178.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -69.86 -33.66 72.56 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.56 -46.53 89.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.271 -1.011 . . . . 50.0 108.271 174.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -30.89 69.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 50.0 111.043 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.89 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 177.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 17.4 m -80.27 -24.34 40.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 50.0 112.71 -177.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.15 110.51 16.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.275 0.56 . . . . 50.0 111.532 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -79.32 74.99 5.91 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 174.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.33 156.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 55.1 p -77.1 161.25 28.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.083 0.468 . . . . 25.0 110.685 -177.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -65.66 -29.43 69.99 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.831 -0.543 . . . . 25.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 8.1 pm0 -71.96 -25.34 61.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.926 -0.484 . . . . 25.0 111.236 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.11 -33.78 63.7 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.262 -0.899 . . . . 50.0 108.987 175.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.61 78.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 175.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.68 -36.79 84.67 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.272 0.558 . . . . 25.0 110.96 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.91 -28.63 68.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.031 0.443 . . . . 25.0 111.299 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -116.34 47.89 1.35 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 50.0 110.89 -177.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 54.0 m -67.74 -26.18 66.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 176.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -59.81 -39.58 85.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 25.0 110.216 175.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 63.1 ttp -64.61 -27.53 69.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.119 -0.491 . . . . 50.0 110.951 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.33 -35.79 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.664 -0.865 . . . . 50.0 108.664 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.9 m -65.93 -39.67 90.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 173.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 26.5 m -59.07 -46.39 88.39 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.322 -0.236 . . . . 25.0 110.955 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 77.5 mt -59.93 -38.57 82.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.296 0.57 . . . . 50.0 110.966 176.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -33.03 74.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 50.0 111.847 -178.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -67.0 -42.12 85.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.908 0.322 . . . . 50.0 111.196 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 27.3 mt -61.78 -16.4 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -172.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -58.84 -13.84 7.28 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.777 -1.202 . . . . 50.0 113.094 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -12.06 46.15 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 112.457 0.54 . . . . 50.0 112.457 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -74.55 75.98 1.97 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.302 1.049 . . . . 50.0 110.037 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -85.07 0.71 50.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.146 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.85 -21.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 123.758 0.661 . . . . 50.0 109.854 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.5 t -140.02 120.2 13.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 172.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 7.0 mp0 -66.21 -31.58 72.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.068 -0.253 . . . . 50.0 111.048 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.92 -36.97 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.316 0.579 . . . . 50.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.26 -46.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.985 -1.072 . . . . 50.0 109.788 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 413' ' ' MET . . . . . 0.42 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 29.0 ptm -69.64 -30.79 68.58 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 119.092 -1.043 . . . . 50.0 111.665 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.78 -39.86 66.4 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.3 -0.875 . . . . 50.0 111.318 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.78 -44.63 73.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.901 -0.499 . . . . 25.0 109.992 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 33.1 p -62.67 -37.15 85.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.088 -0.645 . . . . 25.0 110.4 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -66.66 -40.08 88.46 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.991 -0.443 . . . . 25.0 110.923 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.96 -43.23 99.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.01 0.433 . . . . 50.0 110.807 177.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.46 -38.2 83.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.84 -36.05 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.95 -34.64 68.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.204 0.601 . . . . 50.0 112.074 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -107.57 16.97 23.24 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -80.34 41.46 0.54 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.38 0.882 . . . . 50.0 113.38 -178.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 41.4 t30 56.5 57.18 5.03 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 122.779 1.276 . . . . 25.0 111.63 -177.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.918 0 CA-C-O 123.901 1.81 . . . . 50.0 114.791 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 124.328 2.013 . . . . 25.0 115.277 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 177.15 175.66 44.62 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 108.88 -1.688 . . . . 25.0 108.88 -178.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.94 149.8 47.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.2 0.5 . . . . 25.0 109.963 179.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 67.9 m -145.13 138.74 26.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 25.0 111.655 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -77.74 147.16 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.699 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 59.5 p -134.83 152.49 51.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 175.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -106.5 24.5 12.49 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.912 0.485 . . . . 25.0 110.543 -177.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 19.5 t -33.36 91.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 118.813 2.894 . . . . 25.0 118.813 -168.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 26.8 t80 -77.24 -6.37 52.84 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.914 0.864 . . . . 25.0 110.722 173.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.06 75.23 2.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.338 -0.846 . . . . 25.0 108.983 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 136.03 87.59 0.23 Allowed Glycine 0 C--O 1.219 -0.838 0 N-CA-C 110.488 -1.045 . . . . 25.0 110.488 -174.313 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.38 123.57 17.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 25.0 111.222 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -122.95 178.85 4.87 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 176.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -119.19 172.59 7.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 178.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 70.87 -21.26 0.2 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.551 1.686 . . . . 25.0 115.551 -178.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.412 0 CA-C-O 125.394 2.521 . . . . 25.0 113.052 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . 0.449 ' HB3' HE22 ' B' ' 389' ' ' GLN . 0.0 OUTLIER -63.36 -28.85 70.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 120.839 -1.163 . . . . 25.0 112.111 -177.43 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -30.24 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -73.22 -38.35 66.08 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 176.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.25 -36.42 84.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.447 -0.158 . . . . 50.0 110.689 178.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.45 -42.97 99.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.711 -0.478 . . . . 50.0 109.711 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.23 -40.63 86.38 Favored 'General case' 0 C--O 1.209 -1.039 0 C-N-CA 121.063 -0.255 . . . . 50.0 111.47 178.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.1 -43.99 98.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.556 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 177.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.63 -41.06 94.11 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.635 -0.666 . . . . 50.0 111.379 178.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.12 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.64 -35.55 80.89 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.827 0.451 . . . . 50.0 111.221 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.467 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 94.1 mt -65.29 -44.85 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.361 -0.607 . . . . 50.0 109.361 176.518 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -63.85 -30.66 71.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.338 -0.851 . . . . 50.0 110.354 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.35 -12.16 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.999 0.74 . . . . 50.0 112.999 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.467 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 96.6 p -94.0 -22.39 18.58 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.429 1.27 . . . . 50.0 114.429 -177.083 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . 0.446 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 1.3 mp -115.48 23.06 12.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.783 0.801 . . . . 50.0 110.558 -179.718 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -81.0 157.88 25.35 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.671 -0.695 . . . . 50.0 109.603 175.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 49.2 pt -69.89 -21.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 114.094 1.146 . . . . 50.0 114.094 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.43 -37.49 56.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.987 1.106 . . . . 25.0 113.987 -172.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.83 72.16 0.77 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.306 -1.368 . . . . 25.0 107.306 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.4 OUTLIER -72.36 128.9 37.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 50.0 109.832 -177.6 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -136.8 110.22 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 25.0 110.381 -179.184 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.38 -44.8 97.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.537 -1.21 . . . . 50.0 111.439 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.124 -0.36 . . . . 50.0 111.237 -176.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -57.07 -39.32 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.078 0.466 . . . . 50.0 110.619 178.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.92 -43.33 88.44 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.766 -0.373 . . . . 50.0 111.356 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.72 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.76 -39.38 87.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.61 0.226 . . . . 50.0 111.61 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.76 90.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.636 0.731 . . . . 25.0 110.081 177.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.51 -33.03 72.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.879 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.11 -32.49 63.22 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.071 -0.393 . . . . 50.0 112.006 -178.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.24 -40.76 95.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.853 0.835 . . . . 50.0 108.964 172.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -27.68 66.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 50.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.03 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.271 -0.268 . . . . 25.0 110.601 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 47.1 t -81.65 -32.79 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 50.0 111.235 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.4 135.2 52.81 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -178.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -81.85 72.55 8.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.456 -0.793 . . . . 25.0 110.612 177.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.38 119.85 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.9 p -74.24 162.88 28.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 23.2 ptp -63.31 -30.14 71.33 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.561 -0.455 . . . . 25.0 111.201 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.44 -35.26 75.5 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.234 0.54 . . . . 25.0 110.548 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . 0.449 HE22 ' HB3' ' B' ' 349' ' ' ASP . 13.6 mm100 -70.75 -36.3 73.05 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.473 -0.767 . . . . 50.0 109.592 177.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.9 90.01 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 176.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.59 -38.48 91.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.293 0.568 . . . . 25.0 110.96 177.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.16 -36.01 64.07 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.302 0.573 . . . . 25.0 111.59 179.091 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -109.72 44.91 1.13 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.095 0.474 . . . . 50.0 110.589 -175.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 32.8 m -69.5 -21.57 63.67 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -177.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.18 -31.73 73.03 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.368 0.604 . . . . 25.0 111.998 175.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -69.73 -34.26 73.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.544 -0.909 . . . . 50.0 108.544 175.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 39.3 mm -68.37 -31.93 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.2 m -63.38 -47.0 83.86 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.736 -0.602 . . . . 25.0 109.608 174.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 28.4 m -63.56 -40.97 98.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.812 0.339 . . . . 25.0 110.948 177.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.48 -36.09 75.35 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.718 0.807 . . . . 50.0 111.442 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -63.6 -38.62 91.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.921 176.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.77 -31.98 65.28 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.422 1.268 . . . . 50.0 114.422 -174.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -19.32 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-O 121.359 0.599 . . . . 25.0 112.169 -177.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -68.32 -11.12 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.632 -0.667 . . . . 50.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -83.53 -5.84 59.28 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.369 -0.207 . . . . 50.0 111.241 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.04 68.82 4.16 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.704 0.764 . . . . 50.0 108.976 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.04 -18.97 60.67 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -169.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.92 -16.12 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.203 0.446 . . . . 50.0 112.203 -177.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -129.09 116.52 19.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 122.042 0.925 . . . . 25.0 112.705 176.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.38 -36.81 68.8 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.364 -0.834 . . . . 50.0 112.584 -178.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.73 -37.7 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.609 -0.682 . . . . 50.0 110.897 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.66 -46.55 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.115 -0.366 . . . . 50.0 110.727 178.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.98 -30.05 68.39 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 119.753 -0.779 . . . . 50.0 110.499 -178.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.43 -49.86 56.86 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.021 -0.272 . . . . 50.0 111.161 176.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -61.05 -42.96 99.47 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.141 0.496 . . . . 25.0 110.433 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 25.0 p -69.17 -34.71 75.36 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.424 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.3 m -67.67 -40.14 84.48 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.604 -0.685 . . . . 25.0 110.238 176.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.7 ttp -59.97 -44.36 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.57 -38.88 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.811 0.338 . . . . 50.0 111.171 177.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -39.57 87.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.52 -34.76 70.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.126 0.489 . . . . 50.0 111.806 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.25 -32.6 73.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.706 0.403 . . . . 50.0 110.878 178.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.42 21.05 17.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -178.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -72.33 39.99 0.08 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.167 1.543 . . . . 50.0 115.167 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.73 56.18 8.23 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.695 1.236 . . . . 25.0 112.594 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.211 -0.942 0 N-CA-C 115.259 1.577 . . . . 50.0 115.259 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 123.638 1.685 . . . . 25.0 115.074 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 120.48 0.25 12.48 Favored Glycine 0 C--N 1.354 1.567 0 O-C-N 120.57 -1.331 . . . . 25.0 114.846 176.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -85.95 18.6 2.92 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 16.2 m -101.57 156.49 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -138.9 169.73 17.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 44.0 p -132.5 103.39 6.14 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -86.4 69.55 10.42 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.716 -0.615 . . . . 25.0 112.355 176.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.7 m 61.52 177.94 0.12 Allowed 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 116.485 2.031 . . . . 25.0 116.485 175.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 6.4 t80 58.45 65.89 1.18 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.793 1.775 . . . . 25.0 115.793 177.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.78 126.07 51.75 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 88.11 14.04 63.1 Favored Glycine 0 CA--C 1.51 -0.27 0 C-N-CA 120.572 -0.823 . . . . 25.0 111.71 -177.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.7 -160.14 0.27 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.088 0.555 . . . . 25.0 109.875 -176.429 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -139.89 144.28 37.11 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.335 -1.728 . . . . 25.0 106.335 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.4 tt0 57.24 43.09 24.28 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 122.012 0.91 . . . . 25.0 111.02 176.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -72.74 151.28 42.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.247 -0.888 . . . . 25.0 109.255 178.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 124.722 2.201 . . . . 25.0 112.724 178.496 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.73 -51.54 68.44 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 120.753 -1.217 . . . . 25.0 111.076 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -64.96 -27.95 69.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.936 0.398 . . . . 25.0 111.937 -178.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.07 -45.39 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.658 -0.867 . . . . 50.0 108.658 178.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -41.54 87.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 50.0 109.993 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.29 -38.57 89.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.386 -0.196 . . . . 50.0 111.116 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -62.93 -41.96 99.64 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.263 -0.273 . . . . 50.0 111.095 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.98 -44.78 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.993 -0.743 . . . . 50.0 108.993 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -65.44 -27.57 68.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.746 -0.596 . . . . 50.0 112.414 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.97 89.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.48 -36.27 78.72 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 110.236 -0.283 . . . . 50.0 110.236 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.512 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 95.9 mt -63.63 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.061 -1.025 . . . . 50.0 110.472 177.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.644 -0.66 . . . . 50.0 110.594 176.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.16 -31.37 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.697 0.628 . . . . 50.0 112.697 178.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.512 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 90.1 p -81.96 -13.46 57.43 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 114.649 1.351 . . . . 50.0 114.649 -172.384 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.6 mt -120.82 25.72 9.52 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.732 0.696 . . . . 50.0 110.399 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -79.56 170.18 16.94 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.361 -0.382 . . . . 50.0 111.521 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.55 -33.4 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 115.432 1.642 . . . . 50.0 115.432 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -40.1 87.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -172.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -168.44 137.5 2.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.364 -2.828 . . . . 25.0 103.364 178.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.11 143.83 46.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.782 0.719 . . . . 50.0 110.562 -176.552 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -124.15 103.05 8.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.126 0.965 . . . . 25.0 109.569 -172.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.11 -43.63 81.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.399 -1.273 . . . . 50.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.65 -39.49 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.24 -0.288 . . . . 50.0 111.441 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -60.25 -39.21 85.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.17 -42.77 99.45 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.487 -0.485 . . . . 50.0 110.552 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.15 -47.32 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.07 -42.92 99.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 50.0 110.9 -179.067 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.14 88.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 25.0 111.204 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.81 -38.61 89.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.16 -0.681 . . . . 50.0 109.16 177.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -74.86 -26.95 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.192 0.812 . . . . 50.0 113.192 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.68 -44.08 85.53 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 171.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -26.94 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.519 -0.764 . . . . 50.0 111.887 -178.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.54 69.56 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 176.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 32.4 t -79.29 -32.26 43.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.029 0.443 . . . . 50.0 110.157 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 69.7 mt -63.62 131.67 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.144 0.973 . . . . 50.0 111.307 178.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -83.16 71.2 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.864 -1.062 . . . . 25.0 109.479 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.04 123.17 30.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.497 -1.297 . . . . 50.0 107.497 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 43.9 p -78.67 163.73 25.2 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -178.009 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.4 ptp -62.32 -31.42 72.03 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.845 -0.534 . . . . 25.0 112.097 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.49 -37.71 74.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.285 0.564 . . . . 25.0 109.928 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -69.83 -38.31 76.5 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.924 -0.769 . . . . 50.0 108.924 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.99 90.32 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.07 -0.394 . . . . 25.0 110.287 177.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -64.17 -42.72 96.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 25.0 110.64 177.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -66.97 -35.94 81.08 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.471 0.653 . . . . 25.0 109.802 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.15 54.99 1.26 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.61 . . . . 50.0 110.89 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 91.1 m -66.65 -20.42 65.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.8 -35.75 71.25 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.64 172.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 29.5 ttp -66.7 -39.64 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.859 -0.525 . . . . 50.0 109.797 177.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.01 -42.71 97.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.7 m -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.127 177.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 33.7 m -65.1 -45.1 86.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.205 -0.309 . . . . 25.0 111.222 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.0 -36.41 81.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 50.0 110.963 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -58.7 -38.35 78.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 50.0 111.491 177.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.01 -46.44 74.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.932 0.396 . . . . 50.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.8 -18.07 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 25.0 112.065 -173.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.03 -10.99 11.44 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.223 -0.923 . . . . 50.0 112.964 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.97 -20.26 42.3 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 122.23 -0.294 . . . . 50.0 111.462 174.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -78.37 101.74 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.033 -0.728 . . . . 50.0 109.033 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -105.54 -7.78 18.41 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -12.04 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -176.411 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.1 m -142.12 120.0 11.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 167.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.63 -30.91 71.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.435 0.636 . . . . 50.0 110.819 -177.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.47 -40.45 84.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 50.0 110.716 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.06 -47.24 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 122.031 -0.418 . . . . 50.0 111.669 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.3 ptm -65.9 -30.07 70.6 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.999 -0.68 . . . . 50.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -78.96 -39.73 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 177.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.7 -44.53 96.01 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.264 -0.897 . . . . 25.0 108.754 175.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.1 p -65.29 -37.05 85.96 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.451 -0.5 . . . . 25.0 111.982 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.2 t -73.94 -30.86 62.77 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.891 0.768 . . . . 25.0 111.194 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.9 ttp -64.35 -45.47 87.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 176.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.676 0.274 . . . . 50.0 110.691 177.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -58.0 -44.56 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.86 -35.35 74.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.13 0.418 . . . . 50.0 112.13 178.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -60.16 -30.9 69.63 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.151 0.58 . . . . 50.0 111.522 179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -106.96 7.47 29.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.428 0.529 . . . . 50.0 112.428 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -78.86 39.95 0.38 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.566 0.747 . . . . 50.0 112.811 -178.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -42.01 97.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.242 1.02 . . . . 25.0 109.038 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 124.576 2.131 . . . . 50.0 112.837 177.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.502 2.17 0 CA-C-O 123.576 1.655 . . . . 25.0 114.98 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -106.96 16.75 39.09 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.181 -1.574 . . . . 25.0 113.851 -176.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.24 119.46 10.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.109 0.481 . . . . 25.0 110.22 -178.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 56.3 p -164.65 167.59 18.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -69.77 94.37 0.81 Allowed 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.436 0.636 . . . . 25.0 111.365 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 25.1 m -130.98 92.27 3.19 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -174.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.11 6.7 7.45 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.143 0.497 . . . . 25.0 111.242 174.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 19.2 m 57.32 -154.01 0.36 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.863 0.865 . . . . 25.0 113.285 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 2.6 t80 -138.15 107.81 6.24 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 -176.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -144.56 84.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.38 17.66 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 121.036 -0.602 . . . . 25.0 112.361 -178.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.36 144.69 21.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.754 -1.573 . . . . 25.0 106.754 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 55.52 32.34 18.86 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.376 1.047 . . . . 25.0 110.292 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -82.67 153.9 25.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.002 -0.999 . . . . 25.0 110.188 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -84.09 77.9 9.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 176.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 19.5 t0 . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 123.911 1.815 . . . . 25.0 113.447 -175.692 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 115.973 1.842 . . . . 25.0 115.973 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.15 -34.92 77.29 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 120.606 -1.309 . . . . 25.0 112.469 -176.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -59.38 -31.1 68.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.871 -0.518 . . . . 25.0 112.134 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.24 60.4 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.398 -0.593 . . . . 50.0 109.398 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.29 -41.25 81.26 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 -176.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.86 -32.45 73.72 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.757 -0.377 . . . . 50.0 110.425 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -62.76 -43.13 99.6 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.527 -0.546 . . . . 50.0 109.527 177.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -44.76 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.802 -0.635 . . . . 50.0 109.288 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -59.23 -40.85 87.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.762 -0.199 . . . . 50.0 111.342 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.78 90.59 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.36 -0.213 . . . . 25.0 111.167 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.9 -40.1 87.63 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.74 -0.384 . . . . 50.0 109.982 178.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.422 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 81.4 mt -62.97 -39.25 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.694 -0.629 . . . . 50.0 110.93 179.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -65.59 -19.63 65.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -98.99 -35.78 9.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.281 0.562 . . . . 50.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.422 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 81.1 p -75.78 6.15 5.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 116.449 2.018 . . . . 50.0 116.449 -173.009 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.4 mt -137.24 21.34 2.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.372 0.606 . . . . 50.0 110.565 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.13 163.87 27.16 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 113.075 0.768 . . . . 50.0 113.075 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 18.5 tt -71.75 -36.7 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 116.303 1.964 . . . . 50.0 116.303 -175.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.73 -44.93 15.05 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -171.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -166.78 144.87 5.12 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 105.217 -2.142 . . . . 25.0 105.217 175.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 152.72 39.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.382 0.882 . . . . 50.0 113.382 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.75 92.87 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.851 175.443 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.68 -47.3 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 120.937 0.398 . . . . 50.0 112.053 -176.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -67.15 -36.81 82.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.142 0.793 . . . . 50.0 113.142 -174.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -63.23 -30.57 71.69 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.375 -0.53 . . . . 50.0 111.097 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 3.8 t -65.98 -41.06 91.62 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.2 -0.6 . . . . 50.0 110.402 176.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.1 -40.83 90.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.94 -44.13 73.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 50.0 111.225 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.8 87.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.159 0.504 . . . . 25.0 111.096 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.34 -31.13 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.291 -0.413 . . . . 50.0 111.204 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.6 0.714 . . . . 50.0 110.389 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.5 -39.14 92.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.693 . . . . 50.0 109.619 178.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -36.63 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.405 . . . . 50.0 110.511 179.192 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.36 67.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.537 -0.301 . . . . 25.0 111.315 -179.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 33.3 m -84.05 -13.85 52.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.172 0.804 . . . . 50.0 113.172 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.16 141.76 33.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.701 . . . . 50.0 112.492 -178.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.19 63.43 5.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.341 -0.845 . . . . 25.0 110.763 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.11 112.52 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 50.0 108.117 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.5 p -70.96 158.08 37.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 25.0 109.733 -177.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -33.84 72.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.514 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -67.14 -37.71 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.415 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -67.36 -42.93 82.66 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 178.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.15 85.24 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.689 0.28 . . . . 25.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -40.93 98.86 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.798 178.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -78.97 -32.62 45.39 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.152 0.501 . . . . 25.0 111.793 -178.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -89.35 48.74 1.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 50.0 110.241 -176.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.2 m -62.4 -24.49 67.42 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.192 0.996 . . . . 25.0 111.489 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -43.02 99.44 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.636 177.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.1 ttp -65.35 -34.26 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.718 -0.614 . . . . 50.0 110.451 177.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.14 -38.22 81.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.348 -0.982 . . . . 50.0 108.348 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.7 m -67.64 -39.84 84.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.403 177.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.1 m -60.47 -49.08 79.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.066 -0.397 . . . . 25.0 110.485 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.04 -37.22 79.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.229 0.538 . . . . 50.0 110.951 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.63 -37.14 85.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 50.0 111.527 177.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -68.35 -39.13 81.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.855 0.687 . . . . 50.0 112.855 -178.165 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.83 -18.09 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -171.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -53.67 -19.79 4.5 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.115 1.154 . . . . 50.0 114.115 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -84.13 -9.38 58.63 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.986 1.106 . . . . 50.0 113.986 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.26 85.22 1.41 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.961 1.097 . . . . 50.0 113.961 -176.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -74.41 -11.65 60.3 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.561 1.319 . . . . 25.0 114.561 -176.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.36 -31.27 52.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.92 -0.488 . . . . 50.0 110.979 -176.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.4 t -145.45 120.11 9.82 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.091 0.472 . . . . 25.0 109.829 174.165 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.38 -32.24 71.14 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.121 -0.491 . . . . 50.0 111.509 -178.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.3 -37.68 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.706 0.765 . . . . 50.0 110.805 -178.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.63 -46.43 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.893 -0.594 . . . . 50.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.7 ptp -69.28 -30.95 69.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.619 -0.832 . . . . 50.0 110.704 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.9 -48.72 70.52 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.2 -0.312 . . . . 50.0 110.622 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.09 -35.18 79.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.791 178.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.2 m -65.34 -41.49 93.85 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.639 178.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 60.6 m -68.38 -38.97 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.6 ttp -59.07 -48.49 81.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 177.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.34 -44.25 92.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.801 0.334 . . . . 50.0 111.353 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.35 -45.05 84.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.747 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 -33.42 69.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.807 0.299 . . . . 50.0 111.807 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.26 97.11 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 178.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -77.22 -19.48 56.61 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.578 0.585 . . . . 50.0 112.578 -179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -72.47 -21.93 61.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.885 0.328 . . . . 50.0 111.885 176.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -81.48 66.27 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.227 1.013 . . . . 25.0 111.674 -177.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 C--O 1.213 -0.826 0 CA-C-O 125.271 2.462 . . . . 50.0 112.349 -178.447 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.507 2.399 0 CA-C-O 124.025 1.869 . . . . 25.0 115.596 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -173.33 176.62 45.98 Favored Glycine 0 C--N 1.343 0.935 0 O-C-N 120.117 -1.615 . . . . 25.0 110.298 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -148.56 163.33 37.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 -177.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 17.6 t -159.01 162.06 36.7 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 -179.189 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -156.26 -160.47 1.0 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 106.039 -1.838 . . . . 25.0 106.039 -179.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 29.3 p 62.05 2.26 0.78 Allowed 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 116.251 1.945 . . . . 25.0 116.251 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -64.45 132.59 50.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.312 0.577 . . . . 25.0 110.016 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 49.5 m -139.37 171.89 13.62 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -170.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 6.1 t80 -82.72 118.53 23.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 175.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -114.96 -29.62 6.64 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -152.11 178.01 29.59 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.41 -0.9 . . . . 25.0 113.318 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.67 137.25 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.51 -0.345 . . . . 25.0 110.587 -178.451 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 56.91 28.46 14.65 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 173.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -66.28 -15.15 62.99 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 60.44 16.59 6.49 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.96 2.314 . . . . 25.0 112.96 175.882 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 11.7 ttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.47 -42.38 74.26 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.692 1.197 . . . . 25.0 109.933 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.5 m -66.5 -35.11 79.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.181 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.67 -43.71 71.97 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.94 -40.46 96.5 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.756 -0.378 . . . . 50.0 110.7 179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.546 -0.462 . . . . 50.0 111.554 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.0 tpt85 -68.86 -43.46 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.513 -0.551 . . . . 50.0 109.513 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.45 -42.96 94.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.084 -0.71 . . . . 50.0 109.084 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -57.01 -45.08 83.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.583 0.353 . . . . 50.0 110.953 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.42 95.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.623 0.249 . . . . 25.0 110.447 178.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.82 -43.09 99.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.587 -0.279 . . . . 50.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.85 -43.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.983 -0.448 . . . . 50.0 110.061 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.96 -21.72 66.29 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -101.48 -11.79 19.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.419 0.526 . . . . 50.0 112.419 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.9 p -78.54 -24.14 45.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -177.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 19.7 mt -124.56 58.66 1.21 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.765 0.317 . . . . 50.0 111.703 -178.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -102.54 159.92 15.02 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.845 -0.428 . . . . 50.0 109.845 176.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.36 -17.32 20.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.031 -0.531 . . . . 50.0 111.223 176.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.76 -40.0 34.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.487 0.66 . . . . 25.0 110.343 178.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -155.96 125.5 6.32 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 177.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.91 111.23 19.35 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.181 -1.044 . . . . 50.0 108.181 -179.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.91 94.5 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.66 -47.86 72.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 50.0 110.689 -177.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -64.26 -37.7 88.43 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 112.751 0.649 . . . . 50.0 112.751 -178.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -60.12 -39.42 86.19 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 122.104 -0.372 . . . . 50.0 110.279 -177.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.52 -41.3 93.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.452 -0.34 . . . . 50.0 111.035 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.76 -48.36 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.878 -0.416 . . . . 50.0 109.878 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.63 -42.06 99.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 50.0 110.49 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.63 96.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.82 0.343 . . . . 25.0 111.012 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.5 mt -67.54 -38.37 84.08 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 122.111 -0.368 . . . . 50.0 110.539 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -74.63 -28.11 60.74 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.593 -0.443 . . . . 50.0 111.817 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.6 -46.36 90.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.075 -1.083 . . . . 50.0 108.075 171.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.23 -37.55 87.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.395 -0.82 . . . . 50.0 110.708 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.37 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -178.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.7 m -83.88 -19.25 35.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.524 0.515 . . . . 50.0 111.498 -177.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.5 mt -77.4 139.92 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.575 0.702 . . . . 50.0 111.404 178.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -82.64 75.18 9.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 174.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.01 109.22 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.613 -0.884 . . . . 50.0 108.613 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 68.8 p -71.0 163.53 27.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.298 0.571 . . . . 25.0 111.052 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.2 ptm -57.36 -35.35 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.86 -28.99 63.9 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.811 -0.556 . . . . 25.0 111.457 -179.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -74.06 -41.94 60.96 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.06 89.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.932 -0.395 . . . . 25.0 109.932 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.8 -45.69 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.202 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -72.28 -36.04 68.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.181 0.515 . . . . 25.0 111.873 -177.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -98.74 57.03 1.12 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.512 -0.921 . . . . 50.0 108.512 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -27.39 67.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.181 0.991 . . . . 25.0 109.801 -177.158 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.59 -31.65 72.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.624 -1.171 . . . . 25.0 111.383 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.1 ttp -66.04 -34.39 77.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 176.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 19.3 mm -69.66 -38.42 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.9 m -62.86 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.213 -0.292 . . . . 25.0 110.213 175.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.1 m -61.21 -44.93 96.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.275 -0.265 . . . . 25.0 110.927 177.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.47 -37.47 78.28 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.096 0.474 . . . . 50.0 111.253 177.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -61.53 -32.97 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.912 -0.585 . . . . 50.0 111.39 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.72 -43.13 60.04 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.467 0.914 . . . . 50.0 113.467 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -17.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -169.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -11.05 8.43 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.152 0.797 . . . . 50.0 113.152 177.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -81.07 -11.54 59.48 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.021 0.378 . . . . 50.0 112.021 176.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -70.42 75.65 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.345 0.869 . . . . 50.0 113.345 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.87 -19.55 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.991 -0.443 . . . . 25.0 111.981 179.006 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -18.75 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.67 0.619 . . . . 50.0 112.67 -177.258 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -144.49 119.98 10.35 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.407 -0.96 . . . . 25.0 108.407 171.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.28 -32.27 73.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.493 -0.776 . . . . 50.0 109.147 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.07 -44.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.291 -0.413 . . . . 50.0 110.621 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.34 -46.34 83.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 O-C-N 121.817 -0.552 . . . . 50.0 111.154 -178.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 26.5 ptm -68.06 -32.37 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.657 -178.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.16 -48.1 63.19 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.597 -0.689 . . . . 50.0 111.553 175.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -60.82 -43.53 98.1 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.173 -0.33 . . . . 25.0 110.46 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 45.5 p -68.26 -38.44 81.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.693 -0.403 . . . . 25.0 111.646 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -68.6 -39.9 80.69 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 122.117 -0.365 . . . . 25.0 110.154 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -61.1 -46.37 90.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.95 -44.08 90.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.669 0.271 . . . . 50.0 111.234 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.17 -43.5 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.201 -0.312 . . . . 50.0 111.766 -179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.5 -47.08 87.73 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 176.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.72 -37.25 73.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 178.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.94 -37.23 86.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.299 0.24 . . . . 50.0 111.118 179.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.12 -34.73 75.5 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 121.436 0.636 . . . . 25.0 110.136 178.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 56.0 ttp . . . . . 0 C--O 1.209 -1.027 0 CA-C-O 123.151 1.453 . . . . 50.0 114.383 -177.093 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 N--CA 1.499 2.007 0 CA-C-O 124.244 1.973 . . . . 25.0 114.387 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 84.97 -147.12 22.45 Favored Glycine 0 C--N 1.354 1.553 0 O-C-N 119.835 -1.791 . . . . 25.0 112.418 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.75 130.86 44.04 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 177.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 26.0 m -152.65 -60.08 0.15 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 52.99 23.87 3.13 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.86 21.83 6.48 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.978 0.911 . . . . 25.0 112.236 -176.223 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 66.66 -42.06 0.4 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.666 1.586 . . . . 25.0 114.343 -178.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 70.5 m -145.98 170.78 15.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.9 107.35 5.24 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -113.45 -15.76 12.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.82 -0.627 . . . . 25.0 109.793 173.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 179.44 161.59 27.11 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 110.339 -1.104 . . . . 25.0 110.339 175.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.62 140.23 37.19 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.253 -1.388 . . . . 25.0 107.253 174.115 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -125.55 125.56 43.4 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 104.128 -2.545 . . . . 25.0 104.128 173.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -114.52 -3.83 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -177.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 56.62 34.18 24.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.622 1.569 . . . . 25.0 112.165 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.212 -0.873 0 CA-C-O 125.217 2.436 . . . . 25.0 111.379 178.402 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.88 -49.96 75.8 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.172 -0.955 . . . . 25.0 108.915 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 27.1 p -61.22 -29.52 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.144 -0.935 . . . . 25.0 112.867 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -73.12 -44.64 59.95 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.332 -0.855 . . . . 50.0 109.43 179.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 54.3 mt -62.0 -37.83 86.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 178.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.84 -41.61 99.4 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.207 -0.308 . . . . 50.0 111.346 174.163 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -65.06 -39.74 93.71 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 118.025 0.375 . . . . 50.0 111.772 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.66 -40.14 85.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.55 -0.908 . . . . 50.0 108.55 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.35 -36.58 82.68 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.985 0.421 . . . . 50.0 111.643 177.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.97 90.48 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.255 -0.278 . . . . 25.0 110.452 177.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.96 -42.02 81.53 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.93 -0.396 . . . . 50.0 109.93 177.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.3 -38.99 77.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 50.0 110.855 179.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -65.91 -22.66 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.151 -0.968 . . . . 50.0 112.803 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -98.6 -15.24 19.55 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -178.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -84.58 -20.98 30.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 -173.235 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . 0.478 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.8 mt -116.94 32.99 5.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.079 0.466 . . . . 50.0 109.761 177.767 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -75.73 151.97 37.54 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.526 -0.734 . . . . 50.0 111.032 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.6 pt -72.02 -25.58 24.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.497 -0.319 . . . . 50.0 111.629 176.174 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.74 -31.63 52.28 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -161.27 95.63 1.04 Allowed 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -175.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . 0.478 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.1 tt -97.01 113.14 24.65 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 112.94 0.719 . . . . 50.0 112.94 -175.188 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -109.39 96.2 6.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.278 -178.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.03 -48.0 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.393 -0.821 . . . . 50.0 111.505 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.34 -30.46 64.76 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.768 -1.207 . . . . 50.0 114.039 -174.364 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -63.97 -33.98 76.95 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.537 -0.865 . . . . 50.0 110.578 177.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.8 t -68.12 -40.95 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.335 -0.546 . . . . 50.0 110.475 176.043 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.8 -43.67 97.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -178.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.06 -41.13 82.46 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.406 -0.517 . . . . 50.0 111.661 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.95 88.77 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.754 -0.591 . . . . 25.0 110.798 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 51.2 mt -72.5 -27.89 62.54 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.341 -0.39 . . . . 50.0 110.952 177.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -76.11 -43.62 42.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.917 0.389 . . . . 50.0 110.965 -179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.13 -24.27 61.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.09 -40.12 60.28 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.438 -0.949 . . . . 50.0 108.438 174.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.226 0.536 . . . . 25.0 111.942 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.7 m -81.88 -7.0 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.763 -0.653 . . . . 50.0 110.411 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.2 151.23 21.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.992 0.901 . . . . 50.0 111.512 178.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -98.07 130.17 44.88 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.592 -2.003 . . . . 25.0 105.592 171.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.59 128.39 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.761 -0.829 . . . . 50.0 108.761 -174.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 30.9 p -82.6 162.84 21.78 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.1 ptp -63.17 -28.98 70.42 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.771 -0.581 . . . . 25.0 111.446 178.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -69.23 -36.55 77.32 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.364 -0.535 . . . . 25.0 111.146 177.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.82 -36.13 64.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 178.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.07 83.77 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.81 -0.356 . . . . 25.0 110.055 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -64.22 -37.73 88.54 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.473 0.654 . . . . 25.0 111.374 176.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -65.68 -30.03 70.66 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.559 -0.713 . . . . 25.0 111.677 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -115.76 41.24 2.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.071 -0.968 . . . . 50.0 110.865 -175.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.4 m -63.98 -24.66 67.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.345 -0.847 . . . . 25.0 109.283 179.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.05 -43.31 81.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.491 1.139 . . . . 25.0 110.594 173.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 59.2 ttp -71.36 -35.49 71.16 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.823 -1.08 . . . . 50.0 110.894 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.08 -36.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.096 -0.705 . . . . 50.0 109.096 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 67.9 m -65.93 -42.91 89.48 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.086 0.469 . . . . 25.0 109.754 176.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.4 m -59.99 -44.51 94.46 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.046 -0.409 . . . . 25.0 110.972 174.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.48 -37.38 75.41 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.031 -0.418 . . . . 50.0 111.908 176.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -58.63 -35.54 72.67 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.498 0.555 . . . . 50.0 112.498 178.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.49 -43.42 69.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 50.0 109.951 -178.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.59 -17.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.82 -173.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -57.06 -24.34 53.19 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.532 -0.73 . . . . 50.0 111.777 172.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -88.08 -9.03 54.6 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.172 0.805 . . . . 50.0 113.172 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.3 108.07 0.3 Allowed 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.943 0.72 . . . . 50.0 112.943 177.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -87.77 -20.17 26.52 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -178.156 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.16 -28.75 33.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 114.343 1.238 . . . . 50.0 114.343 -169.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.0 m -142.92 126.7 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.371 -0.831 . . . . 25.0 112.54 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -64.58 -38.22 90.27 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 114.463 1.283 . . . . 50.0 114.463 -176.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.85 -36.49 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.376 -0.828 . . . . 50.0 109.564 -176.139 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.8 mt -66.87 -45.94 86.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-N 115.728 -0.669 . . . . 50.0 110.363 179.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -66.04 -38.17 87.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.329 0.968 . . . . 50.0 111.256 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -69.14 -47.36 65.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.358 . . . . 50.0 111.968 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.63 -35.38 78.82 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.204 -1.56 . . . . 25.0 111.475 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 87.7 p -68.24 -41.89 80.49 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.51 -0.876 . . . . 25.0 112.53 176.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 -27.99 63.59 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 119.614 -0.834 . . . . 25.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.1 ttp -62.57 -51.07 68.81 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.3 -39.37 78.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.444 -0.344 . . . . 50.0 111.393 -179.127 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -60.26 -40.94 92.12 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.076 -0.39 . . . . 25.0 110.735 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.16 -37.53 75.24 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.509 -0.476 . . . . 50.0 110.883 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -62.98 -37.88 88.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.866 0.365 . . . . 50.0 111.175 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.36 20.8 18.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 113.459 0.911 . . . . 50.0 113.459 -176.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -63.13 -17.49 62.4 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.594 0.59 . . . . 50.0 112.594 -177.231 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -88.01 102.11 14.42 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 171.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.1 mtm . . . . . 0 C--O 1.21 -1.015 0 C-N-CA 126.082 1.753 . . . . 50.0 115.585 -178.596 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.509 2.518 0 N-CA-C 117.411 2.375 . . . . 25.0 117.411 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -136.26 35.27 2.15 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 120.781 -1.199 . . . . 25.0 114.021 -175.197 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -113.37 137.88 50.87 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 122.101 -0.646 . . . . 25.0 110.793 -179.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 69.0 p -158.45 152.61 24.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 53.86 39.46 30.41 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.039 0.923 . . . . 25.0 111.416 -177.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 38.5 p -73.85 -22.02 59.91 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.409 -0.807 . . . . 25.0 112.414 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -88.33 27.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.455 0.645 . . . . 25.0 109.815 178.478 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 6.6 t -86.91 -165.14 1.2 Allowed 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.88 98.83 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.026 1.121 . . . . 25.0 114.026 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.3 t80 -135.99 -4.83 2.17 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 175.334 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -147.24 14.36 1.46 Allowed Glycine 0 C--O 1.229 -0.183 0 N-CA-C 114.881 0.713 . . . . 25.0 114.881 -179.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 57.57 37.49 27.58 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 122.234 1.016 . . . . 25.0 110.392 -174.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -61.57 153.09 28.64 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.867 -1.515 . . . . 25.0 113.366 -173.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.36 -2.48 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 170.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -99.08 152.04 20.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 123.947 1.832 . . . . 25.0 110.704 179.184 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -57.31 -43.12 83.01 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 114.587 -1.188 . . . . 25.0 111.242 175.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.7 p -61.26 -35.29 76.88 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.224 -0.444 . . . . 25.0 111.713 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.93 -40.47 75.49 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 122.237 -0.29 . . . . 50.0 110.277 178.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.82 -41.45 97.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.734 0.302 . . . . 50.0 111.028 179.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -68.58 -39.48 80.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.727 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -62.91 -44.6 95.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.407 -0.517 . . . . 50.0 110.771 -179.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.97 -44.38 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.817 -0.438 . . . . 50.0 109.817 -177.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -70.86 -26.26 63.18 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.067 -1.02 . . . . 50.0 112.771 179.234 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.05 89.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.52 -0.919 . . . . 25.0 108.52 174.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -66.5 -39.91 88.94 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.306 -0.406 . . . . 50.0 110.385 177.558 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.44 ' HA ' ' HG ' ' B' ' 362' ' ' SER . 90.2 mt -61.18 -41.71 90.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.908 -0.495 . . . . 50.0 109.99 177.028 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.43 -38.37 80.48 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.125 -0.36 . . . . 50.0 110.61 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -85.52 -23.81 27.56 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 113.595 0.961 . . . . 50.0 113.595 -175.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 362' ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' ' 359' ' ' ILE . 84.0 p -73.69 -20.98 60.39 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -175.049 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 49.5 mt -113.23 28.55 8.7 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.581 -0.525 . . . . 50.0 109.581 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -95.67 158.18 15.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.85 -0.613 . . . . 50.0 109.966 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.9 pt -66.74 -11.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 114.308 1.225 . . . . 50.0 114.308 176.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -38.9 89.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -173.28 96.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -177.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.12 114.89 15.29 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.07 -1.085 . . . . 50.0 108.07 -178.116 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -123.65 96.22 4.88 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.991 0.901 . . . . 25.0 110.478 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.04 -41.58 91.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.789 -1.096 . . . . 50.0 111.233 -178.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.25 -50.75 71.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.753 -178.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.86 -36.51 74.72 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 112.453 0.538 . . . . 50.0 112.453 -175.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.8 t -63.26 -41.45 99.05 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.553 -0.459 . . . . 50.0 110.871 178.232 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.28 -42.05 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.692 -0.63 . . . . 50.0 109.909 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.79 -45.03 95.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.041 0.448 . . . . 50.0 110.099 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.33 93.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.616 0.722 . . . . 25.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.33 -36.82 85.2 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.786 -0.571 . . . . 50.0 111.047 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -71.19 -36.99 72.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.462 0.649 . . . . 50.0 110.839 -179.172 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.042 -0.411 . . . . 50.0 110.117 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.23 -28.96 62.46 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 121.096 -1.003 . . . . 50.0 110.958 178.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.01 65.1 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 122.11 -0.369 . . . . 25.0 111.001 177.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 56.1 m -84.21 -10.0 58.06 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.903 0.705 . . . . 50.0 112.903 177.398 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 148.29 22.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.718 1.377 . . . . 50.0 114.718 -176.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.63 83.64 7.83 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.941 178.087 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 56.3 t -81.5 114.4 22.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.227 -1.027 . . . . 50.0 108.227 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 52.3 p -83.14 166.87 18.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -177.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 92.4 mtp -55.77 -42.24 75.2 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.49 -40.54 80.88 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.396 -0.521 . . . . 25.0 111.163 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.33 -38.33 90.72 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.163 -0.336 . . . . 50.0 110.136 178.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 120.821 0.343 . . . . 25.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -71.64 -34.41 69.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.0 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -70.49 -25.72 63.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.182 -0.324 . . . . 25.0 110.907 -179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.05 43.66 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.199 0.815 . . . . 50.0 113.199 -176.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.9 m -66.41 -19.92 65.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.699 1.238 . . . . 25.0 110.539 178.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -65.22 -38.37 90.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.425 -0.797 . . . . 25.0 110.477 174.308 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -72.29 -29.18 63.63 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 179.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 51.6 mm -69.85 -34.97 62.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.211 -0.663 . . . . 50.0 109.211 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.9 m -64.21 -40.16 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.349 0.595 . . . . 25.0 109.532 175.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.4 m -63.23 -44.33 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.83 175.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -36.42 75.23 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 121.902 0.858 . . . . 50.0 111.078 178.734 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.9 -26.87 65.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 50.0 112.056 -178.004 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.2 -35.49 73.96 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.76 -0.588 . . . . 50.0 111.266 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.41 HG13 ' H ' ' B' ' 403' ' ' ILE . 1.1 mt -62.03 -13.21 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 114.118 1.155 . . . . 25.0 114.118 -177.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -62.56 -13.91 36.38 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.923 -1.111 . . . . 50.0 111.737 178.067 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -89.0 -9.8 50.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.442 0.534 . . . . 50.0 112.442 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.5 89.7 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.386 1.088 . . . . 50.0 110.667 -179.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -80.34 -16.44 54.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.003 0.921 . . . . 25.0 113.127 -175.038 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -24.33 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 114.264 1.209 . . . . 50.0 114.264 -175.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -143.02 116.91 9.34 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.738 0.78 . . . . 25.0 110.184 176.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -69.48 -27.98 65.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.03 -0.986 . . . . 50.0 110.962 -178.417 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -39.14 81.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 -47.11 89.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.164 -0.615 . . . . 50.0 110.808 179.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.9 -29.81 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.073 -0.651 . . . . 50.0 110.684 -177.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -69.43 -45.94 67.95 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.07 -0.393 . . . . 50.0 110.339 176.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -61.05 -38.03 84.74 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -66.02 -41.82 90.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 25.0 110.701 179.061 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 83.0 m -67.56 -38.53 84.26 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.979 0.419 . . . . 25.0 110.545 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.31 -48.53 81.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 25.0 110.724 176.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.43 -39.63 89.05 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.129 -0.357 . . . . 50.0 111.893 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.61 -40.69 97.55 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.962 -0.385 . . . . 25.0 109.962 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.55 -45.66 89.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 177.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.52 -40.08 85.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.493 0.663 . . . . 50.0 110.536 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.171 -0.677 . . . . 50.0 109.171 179.474 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -69.65 -2.73 12.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 114.322 1.231 . . . . 50.0 114.322 -176.147 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.19 -23.33 67.27 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 122.046 0.927 . . . . 25.0 109.734 174.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.21 -0.981 0 CA-C-O 122.653 1.216 . . . . 50.0 114.069 179.735 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 7.5 mp0 . . . . . 0 N--CA 1.507 2.395 0 N-CA-C 115.051 1.5 . . . . 25.0 115.051 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 79.53 19.45 71.2 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.435 -1.416 . . . . 25.0 115.13 175.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.56 63.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 8.0 t 54.29 26.96 7.36 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 177.191 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.4 -13.55 60.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.722 0.773 . . . . 25.0 111.857 -179.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 31.2 p -66.35 -5.61 11.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 179.327 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.34 -30.94 71.53 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 173.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.0 p 61.18 -171.12 0.15 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 118.096 2.628 . . . . 25.0 118.096 168.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1397 ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 5.9 t80 -105.19 -37.12 7.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.907 -1.042 . . . . 25.0 112.207 -175.505 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -24.49 -91.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 117.463 2.394 . . . . 25.0 117.463 -160.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.27 52.41 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.596 -0.812 . . . . 25.0 112.796 -179.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.87 30.94 20.46 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.004 0.921 . . . . 25.0 111.675 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.48 138.12 52.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 101.126 -3.657 . . . . 25.0 101.126 168.367 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.58 35.4 20.86 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.303 1.049 . . . . 25.0 111.604 -173.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -151.48 81.44 1.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.748 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1404 ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' B' ' 360' ' ' LYS . 11.6 t70 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 124.319 2.009 . . . . 25.0 113.063 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.506 2.358 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -58.77 -34.86 71.9 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.117 -0.989 . . . . 25.0 111.612 -179.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 15.2 m -60.32 -32.77 71.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.11 69.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 176.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.35 -38.84 91.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.947 -177.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -62.85 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.341 -0.224 . . . . 50.0 110.847 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -63.31 -40.08 96.35 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.587 -0.445 . . . . 50.0 111.19 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.25 -42.41 84.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -60.75 -38.5 85.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.741 -0.6 . . . . 50.0 110.527 178.266 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.78 97.14 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.642 0.258 . . . . 25.0 110.582 177.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.95 -40.02 95.48 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 120.639 0.257 . . . . 50.0 110.532 178.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.91 -35.82 76.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.224 -0.923 . . . . 50.0 110.254 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' A' 1404 ' ' ASP . 54.1 mtmt -71.65 -15.39 62.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.947 -0.47 . . . . 50.0 112.02 177.528 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -101.06 -34.99 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.357 0.503 . . . . 50.0 112.357 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.0 p -76.38 -7.15 54.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 115.412 1.634 . . . . 50.0 115.412 -171.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.41 28.04 5.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.275 0.489 . . . . 50.0 111.649 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -69.56 169.29 12.93 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 60.4 mt -72.43 -49.55 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 115.593 -0.73 . . . . 50.0 112.134 -177.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.34 -39.88 81.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -172.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -159.68 143.43 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 179.225 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.96 155.52 42.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.525 0.148 . . . . 50.0 111.396 -176.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -129.6 114.19 15.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.09 0.948 . . . . 25.0 111.016 -178.131 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.43 -44.29 98.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.056 -0.974 . . . . 50.0 111.733 -177.085 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.28 -44.21 84.18 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.991 -0.443 . . . . 50.0 110.983 -174.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -62.69 -32.37 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.324 -0.55 . . . . 50.0 111.014 -178.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.46 -42.36 83.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.791 -0.568 . . . . 50.0 110.944 175.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.79 -43.86 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.12 -41.99 99.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.949 0.404 . . . . 50.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.43 91.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 25.0 110.007 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 55.1 mt -68.02 -36.19 79.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.129 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.5 -39.65 81.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.978 0.418 . . . . 50.0 111.073 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.39 -40.01 92.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.443 0.639 . . . . 50.0 110.374 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -22.67 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.664 -0.648 . . . . 50.0 111.285 179.712 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.55 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 175.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.0 t -80.75 -33.13 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 50.0 111.663 -177.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.78 137.14 57.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.237 0.541 . . . . 50.0 112.458 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -77.96 127.13 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 172.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.73 132.27 50.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 N-CA-C 107.738 -1.208 . . . . 50.0 107.738 -177.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 62.7 p -86.6 162.72 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.099 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -32.91 72.71 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -29.17 60.44 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.818 -0.551 . . . . 25.0 111.939 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.46 -36.88 74.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 173.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.81 91.51 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.27 -38.14 89.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.8 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -67.01 -24.58 66.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.721 0.296 . . . . 25.0 110.893 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.28 44.18 1.6 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.154 0.582 . . . . 50.0 110.453 178.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 92.7 m -64.94 -25.51 67.91 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.08 -37.78 80.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.836 0.827 . . . . 25.0 111.681 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.9 ttp -70.72 -28.52 64.79 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.645 -0.659 . . . . 50.0 109.719 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.35 -36.95 77.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.102 -1.073 . . . . 50.0 108.102 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.2 m -62.46 -43.46 98.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 174.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.06 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.735 -0.211 . . . . 25.0 111.276 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.48 -39.09 82.59 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.939 0.4 . . . . 50.0 110.249 178.194 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 50.0 111.198 179.622 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -72.45 -40.82 66.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.92 -0.488 . . . . 50.0 110.888 178.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.503 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 0.6 OUTLIER -65.45 -14.59 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 114.524 1.305 . . . . 25.0 114.524 -172.18 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -63.05 -13.03 30.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.388 -0.82 . . . . 50.0 111.639 174.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -92.04 -5.95 51.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.014 0.746 . . . . 50.0 113.014 176.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -76.65 76.01 3.32 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.465 0.65 . . . . 50.0 109.49 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -75.78 -8.33 56.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 -178.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.01 -29.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 50.0 110.033 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.4 m -142.19 119.26 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.523 -0.736 . . . . 25.0 110.13 171.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -68.27 -34.36 76.05 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 112.473 0.546 . . . . 50.0 112.473 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 9.7 p -56.91 -33.17 41.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 122.052 -0.405 . . . . 50.0 111.426 178.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.72 -40.93 54.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 121.587 -0.696 . . . . 50.0 110.847 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.8 ptp -68.6 -31.38 70.52 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.07 -1.019 . . . . 50.0 109.57 178.265 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.91 -48.15 64.02 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.075 -0.391 . . . . 50.0 110.936 177.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -61.7 -43.37 98.98 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 62.0 p -69.06 -37.95 78.82 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.226 -0.59 . . . . 25.0 112.2 -176.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.2 t -73.19 -28.67 62.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.451 -0.781 . . . . 25.0 109.853 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 174.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.217 0.532 . . . . 50.0 110.734 178.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -61.7 -40.45 95.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -66.17 -38.9 89.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.901 -0.499 . . . . 50.0 110.64 178.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.42 -45.41 76.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.78 -0.452 . . . . 50.0 109.78 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -75.82 -30.41 58.99 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 179.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -64.56 -34.48 78.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 176.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -69.62 -46.36 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.147 0.975 . . . . 25.0 109.936 177.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 125.022 2.344 . . . . 50.0 111.94 -179.503 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 . . . . . 0 N--CA 1.513 2.704 0 CA-C-O 122.566 1.174 . . . . 25.0 112.64 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -178.98 171.19 43.25 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 108.905 -1.678 . . . . 25.0 108.905 175.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -151.32 149.89 29.87 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.87 -1.529 . . . . 25.0 106.87 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.8 m -148.53 149.46 31.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.627 0.727 . . . . 25.0 109.368 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.62 100.04 9.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.802 179.116 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 26.3 p -116.76 -72.2 0.7 Allowed 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -153.64 14.59 0.49 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -170.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 78.4 p -74.16 165.46 25.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1397 ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 12.4 t80 -82.49 119.33 24.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 168.229 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.58 128.64 36.65 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.577 -0.702 . . . . 25.0 111.051 -177.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 83.79 40.76 8.6 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 117.023 1.569 . . . . 25.0 117.023 -179.371 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -28.62 16.55 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -66.2 142.32 57.76 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.34 -0.845 . . . . 25.0 111.532 -175.379 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -154.52 121.83 5.69 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.119 -2.178 . . . . 25.0 105.119 -178.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -149.92 87.14 1.46 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.543 -0.91 . . . . 25.0 108.543 -175.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1404 ' ' ASP . . . . . . . . . . . . 0.251 14.2 t70 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 124.508 2.099 . . . . 25.0 112.676 -178.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 115.663 1.727 . . . . 25.0 115.663 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.8 -50.08 72.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.547 1.165 . . . . 25.0 108.219 177.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -68.03 -25.1 65.21 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.504 177.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -66.67 -38.38 86.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.419 1.009 . . . . 50.0 109.132 174.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.56 -41.76 92.59 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.901 -0.72 . . . . 50.0 110.313 177.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -62.93 -32.59 73.92 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.081 0.467 . . . . 50.0 110.533 178.067 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.84 -46.57 84.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.051 0.929 . . . . 50.0 111.06 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.6 -42.97 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.994 -1.003 . . . . 50.0 108.472 -179.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -59.3 -37.68 78.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.377 0.51 . . . . 50.0 112.377 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.55 85.36 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.795 0.331 . . . . 25.0 110.573 177.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.11 -23.0 65.78 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 116.322 -0.399 . . . . 50.0 111.912 -178.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.62 -48.09 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 108.37 -0.974 . . . . 50.0 108.37 176.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -69.1 -41.14 77.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.486 177.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.84 -31.79 73.19 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -175.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 19.7 m -80.83 -19.24 45.05 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.608 0.363 . . . . 50.0 111.206 -178.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.05 20.81 13.11 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.285 0.365 . . . . 50.0 111.741 -177.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -77.06 148.13 36.31 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.769 -1.937 . . . . 50.0 105.769 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.05 -20.82 26.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.509 0.929 . . . . 50.0 113.509 -175.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.65 -35.57 75.31 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.036 0.835 . . . . 25.0 112.511 -177.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -159.38 108.75 1.87 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 179.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.6 137.16 32.58 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 123.934 0.771 . . . . 50.0 109.629 -178.123 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -136.7 88.64 2.39 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.958 -1.019 . . . . 25.0 108.839 175.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.43 -42.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 114.457 -1.247 . . . . 50.0 109.814 -175.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -70.73 -36.14 73.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -176.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.9 -35.72 81.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.389 -0.819 . . . . 50.0 111.059 176.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.4 -40.66 97.22 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.483 -0.487 . . . . 50.0 109.857 174.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.9 -42.46 94.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 119.917 -0.713 . . . . 50.0 109.81 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.55 -36.64 79.07 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.137 -0.625 . . . . 50.0 112.652 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.31 89.74 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 82.6 mt -68.53 -40.34 80.79 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.79 -0.568 . . . . 50.0 110.801 175.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.09 -39.73 94.69 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.737 0.415 . . . . 50.0 110.461 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.78 -50.99 71.41 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.67 0.271 . . . . 50.0 110.563 175.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -29.11 70.15 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.324 0.583 . . . . 50.0 111.587 -177.458 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.36 -30.16 63.12 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 121.455 -0.778 . . . . 25.0 110.62 176.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 69.1 m -81.06 -23.03 38.8 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.101 0.408 . . . . 50.0 112.101 -176.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.37 145.42 49.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.55 0.69 . . . . 50.0 112.349 -178.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -108.77 67.14 0.65 Allowed 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.4 162.77 4.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 115.692 -0.686 . . . . 50.0 110.43 178.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 45.0 p -72.1 159.07 34.77 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 119.748 -0.781 . . . . 25.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 53.2 mtt -61.29 -37.24 82.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.463 0.649 . . . . 25.0 111.614 179.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.62 -35.93 75.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.35 -46.58 79.65 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.21 -0.596 . . . . 50.0 110.867 177.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.91 98.46 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 119.662 -0.815 . . . . 25.0 110.296 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.194 0.521 . . . . 25.0 112.368 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -78.45 -32.81 48.66 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.921 -0.487 . . . . 25.0 112.286 -176.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -83.63 50.44 1.8 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.949 -0.389 . . . . 50.0 109.949 178.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.5 m -64.99 -27.0 68.53 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.646 0.736 . . . . 25.0 110.611 177.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.99 -33.14 73.78 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.939 0.876 . . . . 25.0 110.445 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 67.5 ttp -69.02 -33.06 73.02 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.797 -0.816 . . . . 50.0 108.797 177.2 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.81 -30.31 37.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.482 -0.326 . . . . 50.0 110.355 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.7 m -62.01 -42.24 98.95 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 175.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 32.1 m -60.82 -45.23 95.25 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.499 -0.319 . . . . 25.0 110.22 177.381 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.75 -44.32 96.86 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.676 -0.49 . . . . 50.0 109.676 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -26.77 68.53 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.049 1.129 . . . . 50.0 114.049 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.73 -36.18 70.4 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.925 -0.484 . . . . 50.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.499 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 4.7 mt -57.7 -15.87 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -177.455 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -57.77 -12.68 3.22 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.643 -1.286 . . . . 50.0 113.959 176.409 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.44 ' HB2' ' CZ ' ' A' 1397 ' ' PHE . 2.6 mpt_? -85.72 -8.02 58.43 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 118.616 -0.707 . . . . 50.0 112.617 176.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -63.87 78.74 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.633 0 O-C-N 123.688 0.618 . . . . 50.0 111.79 171.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.47 -7.68 53.79 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.395 -1.441 . . . . 25.0 111.5 -177.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.76 -34.69 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.366 -0.834 . . . . 50.0 110.88 -178.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 20.3 m -144.92 129.12 17.7 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 115.362 1.615 . . . . 25.0 115.362 177.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.66 -20.59 49.91 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.186 -0.915 . . . . 50.0 112.745 177.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.19 -42.73 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 120.666 -0.414 . . . . 50.0 111.879 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.69 -39.33 84.99 Favored 'Isoleucine or valine' 0 C--O 1.25 1.09 0 O-C-N 121.414 -0.804 . . . . 50.0 109.663 176.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.86 -39.61 94.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.9 -0.5 . . . . 50.0 111.778 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -42.4 86.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 50.0 111.277 177.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.99 -40.87 97.36 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.986 -0.686 . . . . 25.0 109.169 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 40.8 p -64.03 -28.77 70.02 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.5 -0.75 . . . . 25.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 417' ' ' THR . . . . . 0.53 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 91.8 m -67.58 -38.8 84.56 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.681 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.5 -42.43 98.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.294 -0.262 . . . . 25.0 110.294 175.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.37 -37.27 77.51 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.738 -0.601 . . . . 50.0 112.073 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 22.3 m-85 -58.54 -39.94 81.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.357 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -72.84 -46.49 52.74 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.53 -0.271 . . . . 50.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -57.55 -44.71 85.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.317 0.647 . . . . 50.0 112.165 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.11 -0.43 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.233 1.568 . . . . 50.0 115.233 -175.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -75.72 -28.8 58.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.606 0.965 . . . . 50.0 113.606 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -95.08 13.6 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.285 0.564 . . . . 25.0 110.762 -176.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 20.3 mmm . . . . . 0 CA--C 1.546 0.803 0 CA-C-O 122.712 1.244 . . . . 50.0 111.849 -176.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.503 2.191 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -54.11 -57.89 9.38 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.513 0.725 . . . . 25.0 111.693 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.5 m -63.69 -25.15 68.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.69 0.757 . . . . 25.0 112.342 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -72.33 -41.74 66.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.87 -35.67 74.87 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.29 -44.61 84.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.168 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -61.66 -48.52 80.45 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.292 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.92 -44.48 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.722 0.296 . . . . 25.0 110.656 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.34 -38.79 90.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.036 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.68 85.73 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.99 -26.59 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.292 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.38 -50.94 78.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 109.68 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -70.7 -27.06 63.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.6 -0.687 . . . . 25.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -75.18 -40.72 59.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 24.2 m -68.99 -31.39 70.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.1 mt -97.53 23.06 8.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.49 142.51 50.17 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 17.3 pt -68.35 -26.18 33.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 115.887 1.81 . . . . 25.0 115.887 -171.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.99 -39.09 72.64 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -154.99 73.74 0.89 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.96 123.62 21.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 113.159 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -98.54 100.2 11.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.252 1.025 . . . . 25.0 109.86 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.93 -46.76 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.244 -1.344 . . . . 25.0 111.659 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.88 -38.61 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.266 -0.574 . . . . 25.0 112.516 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.0 -37.46 74.32 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.286 0.565 . . . . 25.0 110.167 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.73 -43.64 92.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.595 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.63 -42.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.23 -43.63 95.88 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.819 0.343 . . . . 25.0 111.032 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.26 98.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.276 0.56 . . . . 25.0 110.422 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.16 -38.41 85.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.704 -0.622 . . . . 25.0 110.794 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -74.14 -29.85 62.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.15 -40.86 98.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.39 -39.48 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.85 68.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 22.3 t -81.75 -21.93 37.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.058 0.456 . . . . 25.0 111.085 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.86 144.08 43.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.462 0.648 . . . . 25.0 111.547 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -77.82 60.66 2.31 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.887 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.03 114.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.3 p -77.43 159.21 29.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -63.67 -24.54 67.82 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 111.005 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.55 -33.12 66.59 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 122.049 -0.407 . . . . 25.0 110.314 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.93 -39.35 79.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.54 80.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.03 -36.91 85.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.7 0.286 . . . . 25.0 111.751 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.19 -26.16 55.89 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.075 0.464 . . . . 25.0 111.532 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -119.01 47.78 1.6 Allowed 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.7 m -67.63 -19.69 65.24 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.502 0.668 . . . . 25.0 110.685 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -58.78 -38.47 78.61 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.069 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -66.85 -33.03 74.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.401 0.62 . . . . 25.0 110.083 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 21.0 mm -72.48 -35.04 50.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -65.63 -39.81 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.8 m -63.33 -43.56 97.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.807 -0.558 . . . . 25.0 111.082 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.63 -38.06 77.26 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.525 0.679 . . . . 25.0 110.448 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.54 -33.67 75.39 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.452 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.95 -47.28 69.07 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 111.279 0.103 . . . . 25.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.431 HG13 ' H ' ' B' ' 403' ' ' ILE . 1.0 OUTLIER -58.44 -17.2 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -174.557 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -9.03 7.34 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.184 -0.947 . . . . 25.0 113.242 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -84.63 -13.51 51.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.56 109.82 0.44 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -106.68 -31.12 8.59 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -170.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 31.3 m -71.74 -12.35 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.4 t -148.12 120.06 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -80.65 -17.17 52.07 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.25 -37.0 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.323 -0.861 . . . . 25.0 110.964 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.4 mt -68.84 -43.15 82.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.459 -0.776 . . . . 25.0 109.583 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.3 -28.14 66.01 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 118.912 -1.115 . . . . 25.0 110.583 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -44.98 67.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.552 0.615 . . . . 25.0 110.293 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -65.01 -40.52 95.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.816 0.817 . . . . 25.0 109.188 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -68.27 -41.59 80.83 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.896 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 96.7 m -68.22 -37.64 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.3 ttp -57.31 -54.11 50.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.956 0.408 . . . . 25.0 110.581 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.44 -44.49 91.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 25.0 110.891 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.93 -44.22 91.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.692 0.282 . . . . 25.0 111.538 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -66.79 -36.38 82.26 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 122.367 -0.208 . . . . 25.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -67.59 -46.25 73.15 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.018 0.199 . . . . 25.0 111.161 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 -176.875 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.053 -1.03 . . . . 25.0 110.337 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 59.8 p -69.5 -27.95 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.966 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -48.19 68.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.67 -41.74 92.12 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.304 0.378 . . . . 25.0 110.692 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.96 -37.21 86.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.227 -0.189 . . . . 25.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.55 -43.07 95.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.658 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.76 -42.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.82 -44.07 86.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.015 -0.428 . . . . 25.0 110.213 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.27 90.45 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.702 0.287 . . . . 25.0 110.964 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.94 -39.12 93.02 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.98 -42.95 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.211 -0.662 . . . . 25.0 109.211 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.96 -23.69 63.8 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -98.09 -28.13 13.89 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 72.7 p -70.93 -30.2 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.7 mt -103.47 45.68 0.95 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.954 0.407 . . . . 25.0 111.002 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -98.87 162.42 13.1 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.979 0.419 . . . . 25.0 111.992 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.99 -16.82 17.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.88 -39.96 87.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.452 0.644 . . . . 25.0 111.969 -171.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -177.54 95.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.84 118.62 16.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -171.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -100.18 93.23 5.6 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 122.39 1.091 . . . . 25.0 111.462 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.7 -43.11 86.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.312 -1.313 . . . . 25.0 111.045 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -65.68 -46.19 80.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.747 -0.596 . . . . 25.0 111.616 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -59.76 -33.53 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.02 -43.27 88.1 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.453 -0.499 . . . . 25.0 110.492 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.26 -43.03 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.99 -42.26 93.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.278 0.561 . . . . 25.0 110.783 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.89 92.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.84 -36.27 77.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.188 -0.32 . . . . 25.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.94 -39.55 69.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.922 0.391 . . . . 25.0 110.896 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.51 -42.62 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.229 0.538 . . . . 25.0 110.693 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.33 -31.87 66.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.956 -0.465 . . . . 25.0 111.077 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.06 68.15 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 60.6 p -79.36 -15.91 57.13 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.88 0.371 . . . . 25.0 111.306 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.73 131.19 34.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.04 0.924 . . . . 25.0 111.739 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -101.45 134.9 43.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.83 159.11 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 25.0 110.683 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 73.0 p -82.24 162.83 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 58.4 mtt -64.14 -26.75 68.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.25 -36.31 82.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.941 -0.474 . . . . 25.0 111.293 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 25.0 110.41 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.25 -42.49 68.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.188 -0.32 . . . . 25.0 111.117 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -67.21 -35.97 80.71 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.959 -0.463 . . . . 25.0 111.722 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -119.33 50.31 1.25 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.704 0.764 . . . . 25.0 111.145 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 28.3 m -69.51 -19.3 63.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -58.4 -32.03 68.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.594 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -73.16 -33.22 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.89 -39.08 79.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.645 -1.243 . . . . 25.0 107.645 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 40.9 m -62.96 -41.21 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.291 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -44.38 91.56 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.317 -0.239 . . . . 25.0 111.128 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.91 -38.66 82.96 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.367 0.603 . . . . 25.0 109.895 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -64.86 -35.05 79.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.927 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -65.96 -32.02 73.26 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.605 -0.684 . . . . 25.0 111.804 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.48 -13.58 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -55.27 -13.38 1.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.72 51.06 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.973 -0.454 . . . . 25.0 111.591 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -75.82 71.4 2.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.67 -0.34 42.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.271 0.558 . . . . 25.0 111.148 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.65 -31.43 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.4 t -144.14 120.02 10.61 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.828 0.823 . . . . 25.0 110.43 172.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.48 -25.51 66.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.402 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.53 -45.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 122.044 -0.41 . . . . 25.0 110.177 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.76 -42.78 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.4 ttp -59.18 -42.12 90.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.04 -47.58 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.846 0.355 . . . . 25.0 111.386 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.38 -45.27 91.88 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.543 -0.463 . . . . 25.0 110.683 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.2 p -64.96 -36.69 85.19 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.46 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 80.4 m -67.4 -41.33 85.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.726 0.298 . . . . 25.0 110.377 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -61.69 -47.82 83.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.192 -0.299 . . . . 25.0 110.192 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.72 -39.36 93.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.61 0.243 . . . . 25.0 111.194 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.9 -46.7 87.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.52 -35.34 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.93 -0.481 . . . . 25.0 112.062 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.72 -40.16 91.91 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 -172.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 115.159 1.541 . . . . 25.0 115.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.91 -41.53 98.03 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.622 -1.299 . . . . 25.0 109.551 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.0 m -60.85 -28.08 68.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -45.38 58.28 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.345 -0.983 . . . . 25.0 108.345 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.21 -41.92 97.68 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.749 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.65 -42.65 88.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -45.13 95.35 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.42 -42.54 93.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -64.83 -34.63 78.82 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.618 -0.676 . . . . 25.0 111.368 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.57 96.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.76 -37.77 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 25.0 111.356 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.53 -45.24 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -66.6 -44.28 82.57 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.298 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.99 -37.29 85.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 31.3 m -71.65 -24.62 61.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 13.3 mt -115.21 18.99 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 146.63 24.45 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.079 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -26.22 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 116.183 -0.462 . . . . 25.0 111.618 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.25 -40.04 94.84 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -162.13 59.47 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.116 0.484 . . . . 25.0 110.747 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 134.77 56.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -143.57 114.49 7.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 122.034 0.921 . . . . 25.0 110.262 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.12 -43.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.532 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.96 -36.88 69.99 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.167 -0.333 . . . . 25.0 111.089 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.2 -36.46 75.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.071 0.462 . . . . 25.0 110.207 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.3 t -68.55 -41.63 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.718 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.45 -44.83 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.11 -40.76 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 25.0 110.705 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.7 99.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.216 0.532 . . . . 25.0 110.804 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.94 -37.83 79.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.083 -0.386 . . . . 25.0 110.61 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.6 -30.75 66.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.11 -0.369 . . . . 25.0 111.665 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.21 -35.51 81.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.731 0.777 . . . . 25.0 110.043 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -28.49 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.792 -0.568 . . . . 25.0 109.914 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -80.6 -28.72 37.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 94.4 p -81.58 -24.47 36.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.252 0.549 . . . . 25.0 109.668 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.05 137.84 45.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 174.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -79.42 65.84 4.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.829 0.823 . . . . 25.0 110.124 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.09 114.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.6 p -76.57 165.11 25.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.794 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -61.5 -28.66 69.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.568 -0.287 . . . . 25.0 111.086 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -70.5 -39.65 74.02 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.031 -0.418 . . . . 25.0 109.905 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.11 -33.83 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.992 -0.683 . . . . 25.0 110.003 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.08 93.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.2 -41.53 94.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.545 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.08 -36.0 81.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.106 0.479 . . . . 25.0 110.086 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -109.56 53.88 0.68 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.508 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 53.2 m -65.73 -21.39 66.52 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.297 1.046 . . . . 25.0 108.24 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.82 -32.96 72.31 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.971 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -30.57 69.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.597 -0.689 . . . . 25.0 109.835 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.2 mm -67.68 -35.74 73.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.2 m -63.68 -43.13 97.55 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.346 -0.388 . . . . 25.0 110.057 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 58.3 m -60.38 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.225 -0.287 . . . . 25.0 110.225 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.69 -38.67 78.76 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.193 0.521 . . . . 25.0 111.296 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -62.72 -37.13 85.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.046 -0.525 . . . . 25.0 110.859 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.2 -38.09 78.44 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.02 -20.95 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -64.99 -11.66 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.346 -0.846 . . . . 25.0 112.893 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -88.83 -1.22 57.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -71.0 83.71 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.968 0.889 . . . . 25.0 110.945 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.13 -21.01 66.73 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.059 -0.973 . . . . 25.0 112.457 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.94 -26.57 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.5 t -138.48 120.08 15.09 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -72.32 -26.39 61.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.358 -0.837 . . . . 25.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.08 -40.35 78.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -42.19 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.639 -0.663 . . . . 25.0 110.376 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.0 ptp -69.43 -28.53 66.21 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.326 -0.949 . . . . 25.0 111.753 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -43.37 57.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.668 0.667 . . . . 25.0 110.243 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -62.28 -44.22 97.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.552 0.691 . . . . 25.0 110.873 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.9 p -69.74 -35.49 75.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.827 -0.546 . . . . 25.0 112.022 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.7 t -74.02 -27.2 60.83 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.545 -0.722 . . . . 25.0 110.678 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -63.68 -48.05 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.29 -42.51 99.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.959 0.409 . . . . 25.0 110.984 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -58.09 -42.57 85.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.941 -0.392 . . . . 25.0 109.941 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.406 -0.184 . . . . 25.0 111.446 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.18 -42.49 86.21 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.724 0.41 . . . . 25.0 110.477 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 115.121 1.526 . . . . 25.0 115.121 -176.648 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.38 -32.83 74.36 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.699 -1.251 . . . . 25.0 109.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 m -62.53 -31.48 72.26 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.992 -0.443 . . . . 25.0 111.821 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.34 -39.65 78.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.45 -39.69 85.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.2 -37.49 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.293 -0.255 . . . . 25.0 110.644 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -62.32 -45.34 93.66 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.859 -0.423 . . . . 25.0 109.859 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.89 -41.56 92.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.07 -39.04 91.06 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.171 -0.331 . . . . 25.0 111.24 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.53 91.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.23 -27.83 69.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.4 mm -62.37 -47.85 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -65.25 -42.12 93.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 25.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.04 -21.78 66.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.8 p -93.03 -19.01 21.99 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.603 1.705 . . . . 25.0 115.603 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.39 30.23 7.21 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.377 0.99 . . . . 25.0 112.771 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -72.41 168.93 17.41 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.1 pt -63.81 -31.92 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.114 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.15 -40.14 96.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -169.28 146.93 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.45 118.56 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.212 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -113.8 87.62 2.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.544 1.164 . . . . 25.0 109.565 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.67 -45.38 90.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.42 -1.264 . . . . 25.0 111.705 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.85 -38.31 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.598 -0.689 . . . . 25.0 111.69 -174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -60.57 -37.91 82.84 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.723 -0.391 . . . . 25.0 110.419 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.52 -39.57 91.97 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.781 -0.368 . . . . 25.0 111.448 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.66 -46.61 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.77 -40.35 97.04 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.997 0.427 . . . . 25.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.03 97.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.772 -0.58 . . . . 25.0 110.848 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.13 -35.12 76.04 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.845 -0.535 . . . . 25.0 109.959 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.35 -40.83 73.82 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.007 0.432 . . . . 25.0 110.528 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.23 -37.24 80.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.999 -0.438 . . . . 25.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.631 -0.258 . . . . 25.0 111.609 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 55.2 m -79.89 -11.39 59.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.46 127.66 42.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.069 0.938 . . . . 25.0 111.32 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.61 127.5 32.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.87 157.35 20.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 69.0 p -84.16 161.62 20.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -26.08 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.132 0.492 . . . . 25.0 109.945 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -70.93 -34.58 71.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.848 -0.532 . . . . 25.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.2 -36.26 81.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.03 93.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.474 -0.49 . . . . 25.0 109.963 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.47 -39.87 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 25.0 110.915 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -67.05 -23.57 65.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.491 -0.756 . . . . 25.0 110.774 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.37 45.03 1.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 122.747 0.419 . . . . 25.0 110.298 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 96.8 m -66.52 -19.84 65.88 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 122.285 1.041 . . . . 25.0 108.936 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.47 -42.26 87.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.365 -0.834 . . . . 25.0 110.839 173.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -69.56 -33.85 73.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.888 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.85 -35.68 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 35.8 m -66.87 -38.74 86.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.89 -43.55 95.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.155 -0.34 . . . . 25.0 110.653 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.04 -38.38 79.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.207 0.527 . . . . 25.0 110.977 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.62 -39.11 90.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.018 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -65.49 -44.14 88.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.401 HG13 ' H ' ' B' ' 403' ' ' ILE . 0.4 OUTLIER -62.92 -13.66 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -172.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -67.14 -12.11 59.1 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.092 -1.005 . . . . 25.0 112.56 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -85.47 -11.97 52.98 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.856 -0.527 . . . . 25.0 111.254 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.53 74.86 1.97 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.586 0.708 . . . . 25.0 111.828 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -73.37 -2.06 20.72 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.0 t -66.11 -33.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 25.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.9 t -138.03 117.79 13.17 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.457 -0.777 . . . . 25.0 109.415 173.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.1 -24.87 64.18 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.925 -0.58 . . . . 25.0 110.126 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.95 -41.93 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 25.0 110.029 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.42 -47.44 72.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.762 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.13 -29.86 68.86 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.512 -0.742 . . . . 25.0 111.063 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.71 -45.63 78.13 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.961 -0.462 . . . . 25.0 110.535 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.35 -37.06 86.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 32.4 m -64.34 -40.6 96.21 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 52.6 m -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.042 -0.355 . . . . 25.0 110.042 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 60.4 ttp -59.67 -50.6 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.406 -0.184 . . . . 25.0 110.96 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.31 -41.03 97.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.038 0.447 . . . . 25.0 109.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.516 -0.311 . . . . 25.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -63.54 -41.39 98.45 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.806 -0.179 . . . . 25.0 110.634 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--O 1.219 -0.528 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -50.37 -50.64 50.85 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.024 0.929 . . . . 25.0 113.277 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.5 m -59.53 -29.1 67.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -73.14 -47.89 40.12 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.38 -0.971 . . . . 25.0 108.38 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.29 -40.56 94.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.217 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.28 -42.56 99.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.011 -0.276 . . . . 25.0 111.626 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.27 -45.1 93.05 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.892 -0.323 . . . . 25.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.68 -45.25 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.98 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.427 . . . . 25.0 110.926 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -67.51 -27.23 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.406 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.57 -46.01 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.209 0.458 . . . . 25.0 110.873 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -68.84 -38.27 79.7 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.157 -0.617 . . . . 25.0 111.28 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -70.92 -37.16 72.91 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.308 -0.557 . . . . 25.0 111.435 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.6 p -83.21 1.65 39.67 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 123.011 0.524 . . . . 25.0 112.378 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.84 30.94 2.77 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.323 0.582 . . . . 25.0 109.609 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -65.74 148.78 51.2 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 44.1 pt -86.46 -2.74 8.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.076 0.465 . . . . 25.0 110.711 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.35 -39.94 18.5 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.493 -0.776 . . . . 25.0 111.131 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 47.4 t30 178.32 147.87 0.17 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 101.558 -3.497 . . . . 25.0 101.558 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.95 149.12 33.6 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -94.42 99.68 11.83 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.402 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.31 -47.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.024 0.44 . . . . 25.0 111.439 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -64.77 -39.02 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.74 -36.09 81.91 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.964 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 17.3 t -63.68 -43.16 97.51 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.366 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.8 mt -63.82 -46.22 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -64.2 -42.28 96.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.754 0.311 . . . . 25.0 111.641 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.16 98.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.48 0.657 . . . . 25.0 110.315 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.45 -34.6 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.326 -0.397 . . . . 25.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -73.1 -33.53 65.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.052 0.453 . . . . 25.0 111.48 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.3 -40.92 97.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.606 0.717 . . . . 25.0 109.129 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -27.03 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.702 -0.624 . . . . 25.0 111.017 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.27 -34.71 63.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.425 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 50.9 m -79.7 -24.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 25.0 111.562 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.23 131.09 41.56 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.528 0.68 . . . . 25.0 110.269 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.85 70.97 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.614 0.721 . . . . 25.0 109.777 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.9 t -81.3 119.82 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 25.0 109.968 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 11.4 p -73.08 143.38 47.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -65.0 -29.11 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.47 -34.58 72.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 25.0 110.219 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -69.14 -41.18 77.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.62 68.98 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.682 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.47 -36.46 80.5 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 111.757 0.28 . . . . 25.0 111.757 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -75.95 -7.01 53.58 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.919 -0.488 . . . . 25.0 112.076 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -119.04 55.58 0.93 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.1 m -65.07 -24.67 67.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.65 -40.81 80.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.544 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.8 ttp -68.41 -36.55 79.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 109.997 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.29 -39.51 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 63.0 m -66.36 -40.06 89.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.836 -0.62 . . . . 25.0 109.712 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 98.8 m -61.87 -47.22 85.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.927 -0.483 . . . . 25.0 110.816 175.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.03 -37.58 80.19 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.457 0.646 . . . . 25.0 110.282 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.88 -37.07 86.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.016 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -72.05 -43.02 65.59 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.14 -29.83 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.351 0.66 . . . . 25.0 112.057 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -57.92 -8.13 0.92 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.724 1.75 . . . . 25.0 115.724 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -80.72 -13.98 58.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.833 -0.542 . . . . 25.0 111.507 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.69 126.74 25.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -106.95 -31.32 8.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.94 -14.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 116.444 2.016 . . . . 25.0 116.444 -164.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 137.56 23.07 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.083 -1.011 . . . . 25.0 112.342 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -68.91 -40.44 79.09 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.21 -41.37 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 114.012 1.116 . . . . 25.0 114.012 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.23 -45.36 75.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 121.767 -0.583 . . . . 25.0 110.958 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.6 ptp -69.43 -30.8 68.81 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 119.933 -0.707 . . . . 25.0 110.219 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.57 -51.04 55.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.005 -0.434 . . . . 25.0 111.408 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.89 -42.17 99.68 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.687 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 48.2 p -66.54 -35.99 81.58 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.149 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 97.8 m -66.47 -41.58 88.8 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 122.013 -0.429 . . . . 25.0 110.612 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 37.8 ttp -60.5 -49.0 79.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.02 -40.44 94.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.641 0.258 . . . . 25.0 111.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.34 -49.37 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.92 -31.56 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.957 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.03 -40.81 77.41 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.912 0.387 . . . . 25.0 110.315 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.512 2.63 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -64.93 -39.96 94.3 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 121.098 -1.001 . . . . 25.0 110.099 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.1 p -65.5 -32.58 74.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.844 0.354 . . . . 25.0 111.344 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.53 -44.05 68.34 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.63 -41.83 99.25 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.568 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.86 -42.0 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.646 0.26 . . . . 25.0 111.111 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 25.0 110.785 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.14 -41.99 87.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -61.81 -37.37 84.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.119 0.485 . . . . 25.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.62 91.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.94 -28.35 68.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.644 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.94 -46.59 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 121.715 -0.616 . . . . 25.0 109.414 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -68.82 -39.24 80.12 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.374 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.68 -28.72 67.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 62.6 p -84.06 -15.43 47.5 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 20.1 mt -128.0 48.08 2.32 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 118.058 0.39 . . . . 25.0 111.27 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.75 162.67 29.2 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.764 0.711 . . . . 25.0 110.586 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.0 -19.12 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -107.96 -40.24 5.3 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.556 1.317 . . . . 25.0 114.556 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -151.51 116.63 5.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.35 153.29 51.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -171.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -124.13 107.7 11.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.307 1.051 . . . . 25.0 111.198 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.49 -40.48 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 114.265 -1.334 . . . . 25.0 111.406 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -68.02 -44.48 76.41 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 -175.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -61.02 -35.55 77.15 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.269 -0.423 . . . . 25.0 111.526 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.9 t -62.92 -40.55 97.95 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.015 -0.674 . . . . 25.0 110.315 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.92 -45.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.38 -44.21 92.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.81 99.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.276 0.56 . . . . 25.0 110.345 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.2 mt -65.83 -37.49 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.5 -42.16 68.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.098 -1.041 . . . . 25.0 110.047 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.32 -34.2 74.3 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.8 -29.25 69.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.096 -0.377 . . . . 25.0 110.464 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 28.3 t -78.98 -21.21 47.41 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.93 0.395 . . . . 25.0 111.814 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.05 121.1 17.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.778 0.799 . . . . 25.0 110.334 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -80.77 61.55 4.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.846 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.06 147.9 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 70.3 p -75.78 162.88 27.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.942 0.401 . . . . 25.0 110.161 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 76.3 mtm -61.53 -33.26 73.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.356 . . . . 25.0 110.812 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -71.71 -30.45 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.318 -0.239 . . . . 25.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.51 -42.5 71.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.58 82.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.917 0.389 . . . . 25.0 110.42 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -63.27 -46.24 87.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.427 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.35 -35.8 71.27 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -88.12 54.02 2.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.597 0.713 . . . . 25.0 109.177 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -20.35 65.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.081 0.943 . . . . 25.0 111.491 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -60.58 -35.95 77.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.046 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.8 ttm -66.2 -37.53 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.32 -40.25 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.3 m -65.48 -42.25 92.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.795 0.331 . . . . 25.0 110.838 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.0 m -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.553 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.93 -37.26 73.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.286 0.565 . . . . 25.0 111.055 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.65 -38.32 89.81 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.263 -0.426 . . . . 25.0 111.025 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.47 -38.56 77.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.904 -0.498 . . . . 25.0 111.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.92 -20.73 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -59.87 -11.06 4.68 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.96 -11.37 59.58 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 119.386 -0.34 . . . . 25.0 111.872 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.93 72.7 0.41 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.05 -14.19 61.36 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.139 0.976 . . . . 25.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.71 -33.91 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.418 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.3 t -144.31 119.94 10.44 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -66.1 -27.63 68.21 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.98 -35.03 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.851 -0.53 . . . . 25.0 111.491 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.96 -45.14 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.841 -0.537 . . . . 25.0 110.479 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.4 ptm -67.72 -30.06 69.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.354 -0.841 . . . . 25.0 110.262 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -70.31 -47.69 59.99 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.578 -0.701 . . . . 25.0 111.828 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -62.1 -40.88 97.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.928 -0.483 . . . . 25.0 110.519 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.6 p -66.75 -33.86 76.56 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.272 -0.571 . . . . 25.0 110.961 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 46.6 m -66.26 -41.99 89.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.835 -0.54 . . . . 25.0 109.875 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.4 ttp -60.16 -46.95 87.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.495 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.95 -38.85 89.68 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.766 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.79 -47.77 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.53 -34.82 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.868 -0.52 . . . . 25.0 112.401 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -57.32 -46.71 82.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.619 0.368 . . . . 25.0 110.116 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--N 1.32 -0.705 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -177.634 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 123.327 1.536 . . . . 25.0 114.827 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -62.07 -38.96 90.79 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 120.59 -1.319 . . . . 25.0 111.872 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -30.42 71.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.325 0.584 . . . . 25.0 111.657 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -41.25 73.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.27 -32.85 72.31 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.46 -42.09 98.23 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.295 -0.261 . . . . 25.0 110.295 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -62.4 -42.94 99.81 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.673 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.02 -44.82 88.09 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -61.0 -40.09 92.17 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.06 -0.4 . . . . 25.0 110.753 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.95 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.88 -40.57 96.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.35 -41.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 121.656 -0.652 . . . . 25.0 110.057 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.18 -25.36 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.268 -0.27 . . . . 25.0 111.696 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.37 -36.74 12.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 69.4 p -67.08 -21.62 65.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -172.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 76.1 mt -108.11 29.71 7.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -90.03 154.56 19.72 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.738 0.304 . . . . 25.0 111.475 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -42.53 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 116.461 2.023 . . . . 25.0 116.461 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.58 -39.98 92.24 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -168.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -153.97 68.77 0.77 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.94 119.41 12.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.077 -174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -106.65 93.84 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.147 0.975 . . . . 25.0 110.96 -176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.78 -45.64 79.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.443 -1.253 . . . . 25.0 111.593 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.7 -43.66 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.06 0.457 . . . . 25.0 111.497 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -60.82 -36.81 80.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.04 0.385 . . . . 25.0 112.04 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -66.06 -41.05 91.3 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.099 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.28 -44.96 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.84 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.865 0.364 . . . . 25.0 110.972 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.0 97.91 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.208 0.527 . . . . 25.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.2 mt -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.724 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.23 -35.92 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.093 -0.38 . . . . 25.0 110.806 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.42 -38.61 81.08 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.632 -0.667 . . . . 25.0 109.442 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -34.67 77.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.889 178.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.97 -28.13 60.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.3 t -79.85 -32.54 40.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 53.4 mt -69.51 137.11 52.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.226 0.536 . . . . 25.0 111.259 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.16 134.25 42.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.18 125.24 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.277 -2.12 . . . . 25.0 105.277 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.5 p -80.15 155.65 27.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -63.9 -26.08 68.44 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.121 0.486 . . . . 25.0 110.008 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -64.88 -38.43 90.94 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.906 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.14 -37.15 61.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.857 -0.527 . . . . 25.0 109.611 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.96 73.46 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 121.084 -0.246 . . . . 25.0 110.493 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.58 -39.78 95.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.618 0.247 . . . . 25.0 111.5 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -69.47 -26.43 64.57 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.099 0.476 . . . . 25.0 110.44 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.42 42.92 1.47 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 25.0 109.886 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 81.2 m -67.33 -28.86 68.33 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.16 -36.72 78.2 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.78 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.02 -27.99 66.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.076 0.465 . . . . 25.0 110.017 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 25.3 mm -68.7 -34.6 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.4 m -65.25 -40.62 94.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.4 m -60.96 -45.48 94.55 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 122.123 -0.361 . . . . 25.0 110.464 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.83 -37.88 80.45 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.168 0.508 . . . . 25.0 110.254 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -65.38 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.094 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.63 -36.57 83.22 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.777 0.288 . . . . 25.0 111.777 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.59 -16.32 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 121.257 0.551 . . . . 25.0 111.971 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.488 HH21 HG23 ' B' ' 417' ' ' THR . 99.4 mtt180 -61.94 -10.95 10.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.093 -1.004 . . . . 25.0 113.357 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.03 -13.63 58.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.109 -0.369 . . . . 25.0 110.699 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' B' ' 412' ' ' ILE . 32.0 t80 -76.51 76.61 3.22 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.041 0.924 . . . . 25.0 110.527 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -77.2 -6.74 54.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.928 -0.578 . . . . 25.0 112.505 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.67 -37.86 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.307 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.6 m -138.6 119.99 14.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -68.25 -26.08 65.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.39 -39.08 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 O-C-N 121.982 -0.449 . . . . 25.0 111.057 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' B' ' 406' ' ' PHE . 3.7 mt -65.73 -44.97 93.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.3 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.6 ptp -70.63 -28.19 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.299 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.36 -46.26 70.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.066 0.394 . . . . 25.0 109.985 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.91 -41.52 98.01 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.401 0.62 . . . . 25.0 109.63 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 47.8 m -64.6 -37.87 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.999 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 417' ' ' THR . . . . . 0.488 HG23 HH21 ' B' ' 404' ' ' ARG . 53.4 m -71.61 -36.59 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.172 -0.33 . . . . 25.0 111.112 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 26.8 ttt -57.98 -49.15 77.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.24 -44.19 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.698 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -55.56 -45.16 77.34 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.245 -0.285 . . . . 25.0 110.609 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -72.05 -35.32 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -58.88 -45.36 90.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -177.82 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.508 2.454 0 N-CA-C 115.08 1.511 . . . . 25.0 115.08 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -66.21 -39.03 89.33 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.312 -0.868 . . . . 25.0 110.3 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.3 p -59.65 -29.84 68.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.089 0.471 . . . . 25.0 111.372 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -69.03 -44.47 72.63 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.51 -33.07 68.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.324 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.52 -41.41 98.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.596 -0.52 . . . . 25.0 109.596 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -63.15 -43.63 97.8 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.522 -0.308 . . . . 25.0 110.262 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.66 -48.39 84.91 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.44 -36.76 76.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.15 0.5 . . . . 25.0 110.571 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.67 95.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.52 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.863 -0.523 . . . . 25.0 109.689 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.5 -49.93 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.776 -0.577 . . . . 25.0 109.725 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.16 -24.84 64.12 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -87.38 -30.56 20.67 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.2 p -75.92 -22.76 55.7 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -173.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 41.9 mt -111.79 42.5 1.72 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.896 0.379 . . . . 25.0 110.55 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -86.64 160.04 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.993 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 365' ' ' ILE . 0.8 OUTLIER -60.19 -46.09 95.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 114.952 -1.022 . . . . 25.0 112.637 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.77 -36.91 81.34 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -152.58 103.01 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 111.337 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.69 115.17 22.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.371 0.605 . . . . 25.0 110.369 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -113.38 91.93 3.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.563 1.173 . . . . 25.0 110.317 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 81.3 t -59.21 -38.79 76.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.121 -1.4 . . . . 25.0 111.052 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -64.48 -46.82 81.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.71 -38.91 86.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 120.966 -0.293 . . . . 25.0 110.941 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.6 -41.36 92.87 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.825 -0.75 . . . . 25.0 110.047 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.58 -45.68 88.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.7 -0.482 . . . . 25.0 109.7 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -60.08 -43.11 95.74 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.924 0.392 . . . . 25.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.77 -37.41 78.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.383 0.611 . . . . 25.0 110.618 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.67 -30.43 52.04 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.89 -0.506 . . . . 25.0 110.582 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.14 -42.76 59.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.099 -0.376 . . . . 25.0 111.76 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.09 -33.22 74.13 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.71 -40.67 92.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.71 74.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.561 0.344 . . . . 25.0 110.986 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.2 m -83.62 -19.37 35.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.96 148.74 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.716 0.769 . . . . 25.0 110.309 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -78.78 58.03 2.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.998 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.93 141.89 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 46.7 p -109.44 167.13 10.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 121.401 -0.812 . . . . 25.0 111.462 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -58.3 -36.02 72.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.558 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -73.91 -32.24 63.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.678 -0.638 . . . . 25.0 110.882 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -66.12 -39.28 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.52 87.92 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.282 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.76 -39.96 86.58 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.18 -0.325 . . . . 25.0 111.29 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -74.43 -16.18 60.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -119.66 51.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.067 0.461 . . . . 25.0 110.366 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m -65.21 -29.67 70.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.908 0.861 . . . . 25.0 109.987 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.9 -40.87 94.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.983 -1.008 . . . . 25.0 111.263 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.5 ttp -65.61 -30.65 71.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.214 0.53 . . . . 25.0 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.42 -34.94 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 11.1 m -65.24 -39.65 92.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.231 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 61.0 m -62.3 -42.68 99.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.4 0.28 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.03 -38.68 86.98 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.957 -0.464 . . . . 25.0 110.028 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.23 -36.31 83.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.517 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -60.55 -37.78 82.35 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.073 -0.392 . . . . 25.0 111.471 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.52 -13.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -63.47 -10.55 18.07 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.2 -1.562 . . . . 25.0 112.532 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.61 -10.81 50.37 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.979 0.362 . . . . 25.0 111.979 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' B' ' 412' ' ' ILE . 41.2 t80 -80.25 93.04 5.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 177.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -97.19 -8.03 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.35 -43.27 70.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.346 1.029 . . . . 25.0 111.383 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 27.0 t -143.53 120.19 11.14 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.92 -24.83 63.44 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.96 -35.78 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.931 -0.48 . . . . 25.0 112.226 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' B' ' 406' ' ' PHE . 19.0 mt -71.6 -43.35 71.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.421 -0.799 . . . . 25.0 110.736 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -67.19 -29.68 69.42 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.398 -0.521 . . . . 25.0 110.562 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -46.25 64.65 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.181 -0.324 . . . . 25.0 110.384 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.59 -37.86 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.508 0.67 . . . . 25.0 110.881 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 39.0 p -75.81 -32.75 59.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.7 t -74.35 -28.43 61.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.368 0.985 . . . . 25.0 109.676 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.1 ttp -61.75 -47.9 83.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.59 -38.62 74.05 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.508 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.09 -39.0 84.59 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.67 -0.644 . . . . 25.0 109.533 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.73 -37.66 82.51 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.756 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -60.5 -39.94 89.58 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 122.881 0.473 . . . . 25.0 111.063 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.7 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 123.09 1.424 . . . . 25.0 114.446 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.88 -37.21 76.06 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.557 1.143 . . . . 25.0 110.695 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -37.71 86.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.934 0.397 . . . . 25.0 111.162 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -74.24 -37.16 63.86 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.95 -39.16 93.52 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.878 0.37 . . . . 25.0 111.286 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -66.42 -38.17 86.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -64.12 -42.84 96.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.69 -0.404 . . . . 25.0 110.685 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.65 -41.35 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -60.81 -41.6 96.0 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.018 0.372 . . . . 25.0 110.614 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.92 85.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 25.0 110.544 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.91 -42.87 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.67 -46.68 78.21 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.875 -0.516 . . . . 25.0 109.849 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -59.12 -34.54 72.16 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.0 m -82.11 -16.64 49.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.548 1.314 . . . . 25.0 114.548 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.55 22.94 10.49 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.153 0.978 . . . . 25.0 110.194 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 151.73 33.8 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 113.969 -1.469 . . . . 25.0 111.833 -176.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.4 pt -72.86 -7.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.794 0.684 . . . . 25.0 111.716 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -81.67 -23.57 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.695 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.0 t30 171.68 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.133 1.373 . . . . 25.0 108.114 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 127.15 34.17 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.475 -0.765 . . . . 25.0 112.56 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -121.7 87.36 2.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.709 1.243 . . . . 25.0 110.931 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.28 -41.93 85.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-N 114.099 -1.409 . . . . 25.0 110.945 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -65.54 -41.21 93.31 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.021 -0.424 . . . . 25.0 110.789 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -64.77 -37.18 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.496 0.188 . . . . 25.0 111.497 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.17 -40.02 96.32 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.257 -0.577 . . . . 25.0 109.93 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.51 -43.3 90.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.41 -37.8 88.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.725 0.239 . . . . 25.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.84 94.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.437 0.637 . . . . 25.0 110.86 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.95 -37.76 79.04 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.58 -34.73 76.32 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.724 -0.61 . . . . 25.0 111.04 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -61.05 -45.5 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -37.51 87.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.686 0.755 . . . . 25.0 110.252 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.7 -28.71 67.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.01 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 37.5 m -83.65 -15.09 50.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.42 138.61 31.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.555 0.693 . . . . 25.0 112.077 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -83.77 76.61 9.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 50.8 t -74.8 120.78 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.2 p -68.83 155.7 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.63 -30.38 69.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.787 -0.57 . . . . 25.0 111.161 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.87 -43.57 83.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.226 0.536 . . . . 25.0 109.767 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.78 -37.38 76.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.13 98.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.78 -40.0 94.53 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.683 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.2 -32.44 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.714 -0.616 . . . . 25.0 110.856 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -101.75 43.53 1.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m -65.83 -24.66 66.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.61 -42.58 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.416 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 62.5 ttp -68.11 -28.62 67.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.885 0.85 . . . . 25.0 110.172 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 26.8 mm -69.6 -31.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.7 m -69.98 -37.5 75.76 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.855 -0.528 . . . . 25.0 109.762 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.45 -42.88 99.78 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 122.152 -0.343 . . . . 25.0 110.35 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.38 -37.2 80.02 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.622 0.725 . . . . 25.0 110.451 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -66.36 -34.93 79.07 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.873 -0.517 . . . . 25.0 110.904 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -68.06 -54.28 19.44 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -17.45 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -174.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -64.11 -8.22 11.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -96.97 -12.89 22.77 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.28 90.24 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.245 0.545 . . . . 25.0 110.118 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -76.24 -5.73 48.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.77 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 t -76.28 -31.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.043 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.2 m -139.14 119.15 13.4 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.091 0.948 . . . . 25.0 111.865 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -73.79 -25.34 60.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.53 -38.88 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.483 -0.761 . . . . 25.0 110.087 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.71 -43.7 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.301 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ptm -65.57 -35.92 82.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.604 -0.685 . . . . 25.0 111.35 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.65 -48.63 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.793 -0.567 . . . . 25.0 111.9 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.19 -33.21 74.01 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.134 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 42.5 p -70.78 -33.49 70.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.3 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -67.79 -42.95 80.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 64.6 ttp -58.79 -47.41 84.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.715 0.293 . . . . 25.0 110.61 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.87 -38.45 86.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.744 0.276 . . . . 25.0 111.744 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.61 -39.94 93.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -71.38 -35.27 71.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.475 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.67 -42.58 93.19 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 114.676 1.362 . . . . 25.0 114.676 -179.168 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 N--CA 1.507 2.421 0 N-CA-C 116.205 1.928 . . . . 25.0 116.205 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -62.77 -38.03 89.01 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.629 -1.294 . . . . 25.0 110.042 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 62.8 p -68.09 -26.13 65.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.904 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.92 -37.35 67.25 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.498 -0.481 . . . . 25.0 109.945 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.97 -36.94 85.6 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.143 0.497 . . . . 25.0 110.844 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -66.29 -42.83 87.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 25.0 111.207 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.54 -38.89 79.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -57.24 -42.13 80.87 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.957 -0.464 . . . . 25.0 110.321 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.86 98.6 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.737 -0.602 . . . . 25.0 110.224 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.54 -31.33 72.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 111.576 0.213 . . . . 25.0 111.576 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.3 mm -58.68 -45.48 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -68.52 -35.59 77.67 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.254 -0.43 . . . . 25.0 111.855 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.99 -32.8 67.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.224 -0.443 . . . . 25.0 111.856 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 82.8 p -72.61 -23.85 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.0 54.55 1.08 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 122.006 0.908 . . . . 25.0 109.427 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.8 163.99 23.99 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.466 -0.788 . . . . 25.0 110.148 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -30.43 8.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -77.72 -33.48 53.05 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.803 0.811 . . . . 25.0 111.599 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -166.6 148.2 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.513 -2.773 . . . . 25.0 103.513 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.95 153.15 40.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 118.433 0.56 . . . . 25.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -125.87 113.36 17.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.043 0.925 . . . . 25.0 111.014 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.33 -46.27 96.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.496 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.28 -40.57 90.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.218 -0.29 . . . . 25.0 110.218 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.96 -41.07 77.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.085 0.469 . . . . 25.0 110.552 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.33 -43.62 81.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.54 -40.18 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -44.64 88.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.836 0.454 . . . . 25.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.29 99.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.054 0.454 . . . . 25.0 110.803 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.96 -33.42 75.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.248 -0.283 . . . . 25.0 110.376 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.2 -41.97 69.6 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.172 0.51 . . . . 25.0 111.885 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -63.12 -40.16 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.551 . . . . 25.0 110.38 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -35.63 81.36 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.826 -0.546 . . . . 25.0 111.094 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.68 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 51.0 m -82.38 -14.89 54.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.76 152.07 27.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.779 0.799 . . . . 25.0 112.302 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -78.2 57.29 1.82 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.852 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 25.8 t -79.0 104.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.345 0.593 . . . . 25.0 109.849 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.6 p -78.11 163.93 25.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -61.29 -31.72 71.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -72.53 -32.23 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.487 -0.758 . . . . 25.0 110.883 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -70.69 -36.54 73.34 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.57 87.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.62 -37.09 84.95 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.947 0.403 . . . . 25.0 111.437 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.66 -16.76 61.21 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.836 -0.54 . . . . 25.0 111.586 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -113.71 44.74 1.56 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.281 0.632 . . . . 25.0 110.182 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.9 m -64.34 -23.93 67.47 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.798 0.808 . . . . 25.0 109.948 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.68 -47.38 84.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.166 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.8 ttp -66.4 -35.25 79.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.556 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.0 mm -65.59 -37.56 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.7 m -66.32 -37.23 84.9 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.1 m -64.49 -43.72 93.25 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.012 -0.43 . . . . 25.0 110.934 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.41 -37.19 82.57 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.518 0.675 . . . . 25.0 109.885 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.9 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 25.0 111.736 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.38 -36.0 82.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.697 -0.627 . . . . 25.0 111.415 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 7.7 mt -61.93 -13.01 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -59.26 -12.28 5.27 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -13.85 39.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.178 -0.326 . . . . 25.0 111.059 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -78.98 101.4 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -106.6 -2.53 21.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.16 -38.15 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 -172.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 6.4 m -127.61 120.09 27.37 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.637 -0.665 . . . . 25.0 109.867 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.86 -35.99 79.91 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.19 -36.23 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 121.673 -0.642 . . . . 25.0 111.418 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.32 -48.52 80.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 O-C-N 121.566 -0.709 . . . . 25.0 109.183 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.6 ptm -70.38 -31.69 69.05 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.639 -0.824 . . . . 25.0 112.23 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.74 -40.74 69.17 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.205 0.912 . . . . 25.0 111.352 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.76 -35.01 74.57 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.702 -0.624 . . . . 25.0 110.2 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.2 m -64.77 -41.25 96.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -66.77 -40.41 88.19 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -48.0 83.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.123 0.169 . . . . 25.0 110.802 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.58 -43.89 88.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.598 0.237 . . . . 25.0 110.934 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -60.18 -39.67 87.32 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.634 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -67.16 -46.41 74.11 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 122.071 -0.393 . . . . 25.0 110.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -34.19 64.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.723 0.409 . . . . 25.0 111.216 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -177.037 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.502 2.146 0 CA-C-O 122.655 1.217 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -30.89 71.93 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.287 -1.508 . . . . 25.0 110.188 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.7 m -59.84 -29.23 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.611 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -72.48 -49.84 30.27 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.27 -40.9 83.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -60.08 -47.15 87.09 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.683 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.38 -44.52 87.32 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.92 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.3 -46.95 95.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.82 -36.17 82.32 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.233 -0.292 . . . . 25.0 111.468 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.36 91.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.08 -37.76 86.25 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.449 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.57 -52.74 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -65.41 -37.14 86.04 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 120.716 -0.394 . . . . 25.0 110.922 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.92 -28.07 60.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.2 m -68.34 -30.84 69.89 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.298 1.222 . . . . 25.0 114.298 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 36.3 mt -116.86 45.57 1.82 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.746 0.784 . . . . 25.0 109.485 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -99.25 156.98 16.7 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.852 . . . . 25.0 109.849 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -24.07 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.487 0.66 . . . . 25.0 111.731 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.19 -40.0 78.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -164.12 81.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.75 127.82 32.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -134.55 104.94 6.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.227 1.013 . . . . 25.0 109.694 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.97 -33.39 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 115.127 -0.942 . . . . 25.0 111.427 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.17 -37.89 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -62.04 -36.78 82.62 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.846 -0.342 . . . . 25.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 26.2 t -63.97 -38.01 89.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.711 -0.396 . . . . 25.0 110.387 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.43 -44.78 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 122.032 -0.417 . . . . 25.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.66 -42.11 95.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.928 0.394 . . . . 25.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.06 84.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.464 0.649 . . . . 25.0 110.51 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.42 -34.58 74.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.112 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -40.44 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.941 0.4 . . . . 25.0 111.165 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -62.26 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.638 0.733 . . . . 25.0 110.089 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.54 -26.67 64.61 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 120.964 -1.085 . . . . 25.0 111.572 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.3 69.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.007 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 90.5 p -89.01 -23.44 22.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.64 143.88 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.17 0.804 . . . . 25.0 113.17 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.18 58.54 2.06 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.013 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.66 126.69 38.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 35.1 p -81.09 159.64 24.68 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.05 0.452 . . . . 25.0 109.855 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.5 ptm -64.27 -27.37 69.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.537 -0.727 . . . . 25.0 111.853 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.92 -30.04 58.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 25.0 110.891 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.02 -43.59 74.47 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.03 77.66 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.956 0.408 . . . . 25.0 111.045 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.33 -39.35 90.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.251 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.21 -35.91 30.73 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.875 -0.516 . . . . 25.0 110.819 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -84.92 37.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.459 -0.2 . . . . 25.0 110.459 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 98.7 m -71.39 -23.02 61.8 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.32 -33.57 75.81 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.562 -0.711 . . . . 25.0 111.481 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -67.89 -29.27 68.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.5 -26.06 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.913 -0.492 . . . . 25.0 109.679 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.6 m -65.26 -42.38 93.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.507 -0.746 . . . . 25.0 109.188 173.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 45.1 m -65.25 -41.35 94.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.51 -0.313 . . . . 25.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.78 -46.76 86.52 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -57.86 -31.98 67.21 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -58.14 -38.54 76.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 25.0 110.064 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.411 ' H ' HG13 ' B' ' 403' ' ' ILE . 4.8 mt -65.73 -13.77 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -62.63 -12.38 22.85 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.372 -1.455 . . . . 25.0 112.471 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -83.02 -19.13 37.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.17 0.588 . . . . 25.0 111.083 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -73.87 110.05 7.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -100.16 -2.85 33.02 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -2.49 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -169.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.1 t -147.79 122.58 9.93 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.465 -0.772 . . . . 25.0 111.222 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -68.29 -31.45 70.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.69 -41.81 93.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.27 -43.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.265 -0.574 . . . . 25.0 110.844 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 ptp -69.94 -32.76 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.499 -0.88 . . . . 25.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.76 -47.53 68.98 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.893 -0.505 . . . . 25.0 111.006 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.15 -44.36 95.73 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.118 -0.364 . . . . 25.0 110.707 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.9 p -66.14 -30.32 70.79 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.34 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 88.5 m -65.28 -39.11 92.15 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.146 0.43 . . . . 25.0 111.059 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -60.37 -46.72 88.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.32 -38.24 84.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.1 -45.15 79.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.88 -42.82 69.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.723 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.25 -37.49 83.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.849 0.356 . . . . 25.0 111.491 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -173.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.796 1.76 . . . . 25.0 114.933 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.88 -32.71 74.54 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 120.735 -1.228 . . . . 25.0 109.658 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 34.0 p -59.95 -36.42 77.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -72.93 -40.19 65.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.208 -0.597 . . . . 25.0 109.831 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.73 -39.75 95.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.94 -41.79 96.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.215 -0.303 . . . . 25.0 110.715 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -61.53 -44.69 96.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.088 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.5 -47.39 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.106 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.54 -36.53 84.51 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.973 -0.454 . . . . 25.0 111.702 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.58 87.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -64.43 -41.4 96.61 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.64 -40.24 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.94 -0.475 . . . . 25.0 110.394 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -59.89 -29.2 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -97.0 -33.07 11.69 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 80.3 p -67.59 -16.29 64.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 68.1 mt -115.47 24.87 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 364' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 366' ' ' ASP . 1.4 ptmt -116.96 161.18 19.78 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 118.129 0.422 . . . . 25.0 110.076 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.8 pt -66.69 -6.07 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 117.514 2.413 . . . . 25.0 117.514 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 364' ' ' LYS . 4.6 m-20 -61.41 -39.92 92.5 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.298 0.57 . . . . 25.0 110.021 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -175.74 74.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 105.974 -1.862 . . . . 25.0 105.974 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.68 123.67 19.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.639 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -126.44 100.45 6.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.517 1.151 . . . . 25.0 111.034 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.0 -40.16 79.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 114.232 -1.349 . . . . 25.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -70.75 -42.01 71.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -66.41 -27.51 67.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.818 -0.753 . . . . 25.0 111.043 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.3 t -67.59 -42.41 82.51 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.865 173.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.41 -40.46 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.33 -45.33 84.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.876 0.369 . . . . 25.0 110.91 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.07 94.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.527 . . . . 25.0 111.106 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.7 -29.95 69.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 25.0 110.647 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.38 -39.45 62.71 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.203 0.525 . . . . 25.0 111.212 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -35.53 80.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.229 0.538 . . . . 25.0 110.188 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.74 -36.46 73.15 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.32 -32.46 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 61.0 m -79.49 -17.45 54.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.031 0.443 . . . . 25.0 111.241 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.38 135.29 36.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.478 0.656 . . . . 25.0 109.693 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -79.67 69.58 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.421 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.86 117.43 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 65.9 p -79.38 163.33 24.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.721 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 21.8 ptp -63.99 -27.05 68.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.741 -0.599 . . . . 25.0 111.252 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -68.19 -38.72 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 25.0 109.856 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.48 -35.62 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.47 87.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.313 0.578 . . . . 25.0 110.444 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.75 -38.26 90.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 25.0 111.171 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -78.0 -25.25 47.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -121.18 44.97 2.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.308 0.575 . . . . 25.0 110.642 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 45.6 m -64.22 -14.25 54.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.631 0.729 . . . . 25.0 110.646 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -29.47 63.93 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 172.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.85 -27.92 66.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.208 -0.933 . . . . 25.0 110.098 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 34.5 mm -68.77 -38.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.3 m -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -64.75 -47.26 78.88 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.762 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.72 -35.76 77.17 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.896 0.379 . . . . 25.0 110.891 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.79 -37.86 88.94 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.244 -0.285 . . . . 25.0 111.336 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -69.05 -41.27 77.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.323 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.02 -18.21 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -56.84 -13.96 3.04 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -85.9 -6.3 59.09 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.12 76.29 1.76 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.912 0.863 . . . . 25.0 112.049 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.65 -23.65 66.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.877 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -19.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -176.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 47.1 t -144.53 119.86 10.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 O-C-N 121.264 -0.897 . . . . 25.0 112.631 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -74.85 -23.84 58.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.449 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.37 -42.9 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.12 -43.2 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.2 ttm -58.7 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.722 0.268 . . . . 25.0 111.722 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.23 -45.0 78.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.03 -43.01 99.89 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.701 -0.8 . . . . 25.0 110.97 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 p -67.45 -36.33 80.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.862 -0.524 . . . . 25.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.8 m -68.37 -41.87 79.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 25.0 110.96 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.3 ttp -62.06 -45.99 91.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.12 -36.81 80.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.631 0.253 . . . . 25.0 111.16 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.24 -45.63 90.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -70.35 -31.5 68.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.3 -31.45 71.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.959 0.503 . . . . 25.0 110.859 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 113.874 1.065 . . . . 25.0 113.874 -177.236 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.8 ttp . . . . . 0 N--CA 1.513 2.712 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -62.82 -41.38 99.28 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.162 -0.961 . . . . 25.0 108.98 -176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 18.3 m -71.29 -26.13 62.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.971 -0.456 . . . . 25.0 111.94 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.66 -40.99 72.69 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.66 -41.47 96.08 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.73 -41.42 81.78 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.67 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.6 96.69 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 122.002 -0.436 . . . . 25.0 110.337 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.96 -42.71 96.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.38 -41.92 97.89 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.735 -0.603 . . . . 25.0 110.525 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.43 87.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.535 . . . . 25.0 110.164 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.61 -41.85 95.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.147 0.498 . . . . 25.0 110.202 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.44 -38.54 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.825 -0.547 . . . . 25.0 110.128 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.18 -23.2 67.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.483 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.13 -32.65 10.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.342 0.401 . . . . 25.0 112.059 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 61.1 p -72.84 -22.4 60.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -172.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 29.8 mt -108.41 26.79 10.05 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 121.171 -0.212 . . . . 25.0 111.568 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -76.46 143.69 40.36 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 33.0 pt -65.53 -22.61 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.86 -34.31 33.82 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -147.06 62.49 1.18 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.6 OUTLIER -72.3 124.86 25.98 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 122.073 0.94 . . . . 25.0 112.952 -173.356 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -115.5 96.59 5.71 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 122.43 1.11 . . . . 25.0 109.404 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -44.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 114.334 -1.303 . . . . 25.0 111.55 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.47 -40.63 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.659 0.742 . . . . 25.0 112.432 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.67 -28.74 70.11 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.712 -0.618 . . . . 25.0 112.007 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.1 t -71.13 -38.13 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.429 -0.509 . . . . 25.0 111.347 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.28 -42.1 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.48 -43.12 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.675 0.75 . . . . 25.0 110.204 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.39 80.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 45.1 mt -75.18 -27.78 59.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.491 . . . . 25.0 110.924 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -40.87 48.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -59.35 -41.21 88.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.522 0.677 . . . . 25.0 109.19 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -34.67 74.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 25.0 111.057 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.37 -30.59 70.43 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.137 -0.352 . . . . 25.0 111.073 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.7 t -79.63 -31.99 41.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.879 0.872 . . . . 25.0 112.174 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.17 153.08 44.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.06 75.03 2.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.047 -0.979 . . . . 25.0 110.959 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.28 116.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.2 p -101.21 173.01 6.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.05 -34.58 75.1 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.0 -35.85 80.87 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.975 -0.453 . . . . 25.0 110.856 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.44 -36.21 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.371 -0.831 . . . . 25.0 109.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.04 -34.23 77.6 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.888 -0.508 . . . . 25.0 110.413 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.925 -0.484 . . . . 25.0 110.552 175.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.92 -33.61 75.95 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.642 0.734 . . . . 25.0 110.895 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -124.37 61.89 1.12 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.725 -0.67 . . . . 25.0 110.796 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.9 m -70.08 -20.04 63.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.275 1.036 . . . . 25.0 108.625 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.97 -28.69 70.26 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.169 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.6 ttm -62.39 -41.48 98.68 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.8 -43.12 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -63.2 -38.66 92.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.554 . . . . 25.0 111.563 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 42.8 m -68.0 -48.4 65.84 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.079 -0.388 . . . . 25.0 110.075 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.47 -38.06 76.78 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.361 0.6 . . . . 25.0 110.628 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -57.76 -33.36 68.41 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.546 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.04 -40.99 52.18 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.068 -0.395 . . . . 25.0 111.895 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.3 mt -65.33 -17.88 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.48 -10.91 13.27 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.912 -1.118 . . . . 25.0 112.467 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -83.7 -14.8 50.86 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.43 72.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -73.34 -12.89 60.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.544 0.738 . . . . 25.0 111.494 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.58 -29.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.797 -1.092 . . . . 25.0 110.189 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -144.11 116.37 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 410' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 67.8 mt-30 -64.19 -32.77 74.48 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -172.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.4 -37.21 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.658 0.742 . . . . 25.0 111.578 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.97 -48.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.416 -0.803 . . . . 25.0 109.778 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 413' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 27.7 ptm -68.84 -30.92 69.56 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.153 -1.019 . . . . 25.0 110.577 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.21 -44.49 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.891 0.769 . . . . 25.0 111.635 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -67.1 -39.12 86.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 118.58 0.627 . . . . 25.0 109.997 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 55.5 p -69.34 -35.78 76.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.348 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.1 m -68.83 -39.07 80.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.778 0.717 . . . . 25.0 109.325 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.8 ttp -60.9 -47.53 85.99 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 110.483 -0.191 . . . . 25.0 110.483 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.43 -37.54 83.17 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 122.147 -0.346 . . . . 25.0 111.299 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.77 -42.55 93.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.936 0.398 . . . . 25.0 110.134 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.0 -37.96 72.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.165 -0.334 . . . . 25.0 111.658 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.35 -37.92 73.33 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.258 0.551 . . . . 25.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 -177.592 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.427 1.64 . . . . 25.0 115.427 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -51.78 -50.6 60.42 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.361 -0.837 . . . . 25.0 112.188 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.7 m -59.76 -30.77 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -73.44 -38.17 65.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.669 -0.644 . . . . 25.0 109.669 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.58 -40.04 92.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -63.88 -37.24 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -61.53 -43.9 98.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.217 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.22 -40.33 82.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.086 -0.384 . . . . 25.0 110.548 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.82 95.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.233 -0.284 . . . . 25.0 110.233 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.53 -39.59 91.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.981 0.419 . . . . 25.0 110.427 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.49 -40.73 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.569 -0.707 . . . . 25.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.8 -38.85 86.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.023 -0.423 . . . . 25.0 110.244 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -78.35 -30.42 48.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -76.75 -22.51 53.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.445 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.4 mt -114.71 47.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 25.0 110.648 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.07 160.15 15.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.731 0.412 . . . . 25.0 111.87 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 48.9 pt -75.82 -15.57 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.15 -42.64 25.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -163.6 113.39 1.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 104.578 -2.379 . . . . 25.0 104.578 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.2 tt -100.61 116.04 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.276 0.56 . . . . 25.0 112.265 -174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -101.27 93.45 5.44 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 122.323 1.058 . . . . 25.0 110.51 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.4 -43.37 82.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.658 -1.155 . . . . 25.0 111.22 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.73 -42.26 86.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.067 -0.395 . . . . 25.0 111.69 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 25.0 111.758 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.75 -41.48 98.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.71 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.5 mt -65.88 -41.76 90.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.37 -46.9 86.53 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.116 0.484 . . . . 25.0 110.913 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.33 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 25.0 111.175 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.11 -36.76 85.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.122 -0.361 . . . . 25.0 110.537 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.19 -37.62 72.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.11 -41.81 93.39 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.083 0.468 . . . . 25.0 110.337 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.45 77.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 25.0 110.327 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.15 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.231 -0.293 . . . . 25.0 111.314 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 26.5 t -79.69 -18.71 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 25.0 111.823 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.38 139.5 47.88 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.919 0.866 . . . . 25.0 113.17 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -83.45 71.1 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.914 -1.039 . . . . 25.0 109.666 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.02 118.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.7 p -76.4 160.28 29.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.6 ptm -57.27 -33.51 67.7 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.04 -42.59 84.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.186 0.517 . . . . 25.0 110.337 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.27 -34.64 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.85 89.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 25.0 110.227 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.03 -38.21 66.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.208 0.528 . . . . 25.0 111.326 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -67.04 -36.05 81.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -98.33 67.08 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.91 0.862 . . . . 25.0 110.429 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -22.77 60.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.151 -0.931 . . . . 25.0 111.183 -172.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.26 -29.08 64.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.572 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.05 -35.05 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.781 -0.645 . . . . 25.0 109.944 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -60.5 -42.93 97.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 22.4 m -62.87 -45.4 92.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 119.548 -0.263 . . . . 25.0 110.984 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.32 -39.17 72.33 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.347 0.594 . . . . 25.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.34 -34.86 79.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.82 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.03 -43.75 61.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.11 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -10.98 17.84 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.499 -0.75 . . . . 25.0 111.81 176.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -81.03 -12.4 59.35 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -67.74 80.46 0.19 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -69.04 -23.36 64.05 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.926 1.29 . . . . 25.0 111.764 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -23.31 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.2 t -145.54 120.07 9.74 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -64.53 -29.89 70.92 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.673 -0.694 . . . . 25.0 110.513 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.44 -40.82 87.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 O-C-N 122.29 -0.256 . . . . 25.0 111.075 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.84 -43.51 82.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.671 -0.643 . . . . 25.0 111.059 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 ptm -69.8 -30.34 67.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 119.759 -0.776 . . . . 25.0 110.535 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -69.68 -46.14 66.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.675 -0.641 . . . . 25.0 110.858 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.32 -45.55 93.96 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 110.389 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 21.7 p -63.36 -38.24 90.37 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.183 -0.607 . . . . 25.0 111.021 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -40.05 88.59 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.087 -0.383 . . . . 25.0 110.39 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -43.37 98.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.319 . . . . 25.0 110.606 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.04 -38.0 81.99 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.173 -0.329 . . . . 25.0 110.239 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.28 -40.39 93.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.547 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.82 -41.12 97.93 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.45 0.167 . . . . 25.0 111.45 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 C-N-CA 120.924 -0.311 . . . . 25.0 111.343 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 348' ' ' MET . . . . . 0.412 ' HG3' HE22 ' B' ' 389' ' ' GLN . 14.6 tpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.67 -31.4 72.4 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.107 -1.62 . . . . 25.0 110.046 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -30.27 69.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.563 . . . . 25.0 111.318 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -68.58 -44.53 74.22 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.16 -41.63 97.07 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.727 0.299 . . . . 25.0 110.392 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.17 -37.75 86.39 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.902 -0.319 . . . . 25.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.39 -43.96 96.08 Favored 'General case' 0 C--O 1.211 -0.928 0 O-C-N 121.592 -0.693 . . . . 25.0 110.264 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.6 mt -64.4 -41.06 91.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -60.17 -40.9 91.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.793 -0.567 . . . . 25.0 111.251 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.56 -35.06 76.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 25.0 110.618 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.9 -30.23 71.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 119.447 -0.311 . . . . 25.0 110.372 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.75 -44.6 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -65.51 -40.52 93.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.388 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.74 -31.68 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 50.8 m -75.01 -22.66 58.37 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.84 50.75 1.92 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -77.5 158.88 29.72 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 123.305 0.642 . . . . 25.0 111.78 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -35.29 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.54 145.01 3.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 103.561 -2.755 . . . . 25.0 103.561 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 pp -145.84 152.55 39.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.922 0.783 . . . . 25.0 111.406 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.28 118.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.499 1.142 . . . . 25.0 112.275 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.35 -41.72 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 113.794 -1.548 . . . . 25.0 110.374 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.85 -39.27 80.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.909 -0.495 . . . . 25.0 111.993 -175.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.605 0.241 . . . . 25.0 110.569 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 16.8 t -66.08 -41.79 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.928 -0.309 . . . . 25.0 110.658 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.87 -43.35 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.47 -44.81 93.37 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 111.73 0.27 . . . . 25.0 111.73 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.19 89.19 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.489 0.662 . . . . 25.0 111.508 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.53 -33.1 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.027 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -33.35 57.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.417 -0.513 . . . . 25.0 112.312 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.72 -44.79 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -36.05 81.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.106 -0.331 . . . . 25.0 110.106 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.44 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.749 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.4 t -79.93 -23.29 41.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 25.0 112.004 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.47 146.94 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.495 0.664 . . . . 25.0 111.63 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.02 64.18 3.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.326 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.11 143.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.8 p -111.89 164.67 12.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 25.0 112.154 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 17.4 ttt -59.65 -38.31 81.06 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.218 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.39 -30.04 68.87 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.966 -0.694 . . . . 25.0 111.485 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.412 HE22 ' HG3' ' B' ' 348' ' ' MET . 81.9 mt-30 -71.65 -37.32 70.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.61 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.9 91.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.96 0.41 . . . . 25.0 111.047 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.2 -25.42 64.32 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.984 -0.447 . . . . 25.0 112.151 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -118.84 44.43 2.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.522 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -63.89 -21.67 66.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.526 1.155 . . . . 25.0 108.613 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.85 -42.78 85.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.538 -0.755 . . . . 25.0 112.27 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -72.31 -25.31 61.52 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.551 -0.718 . . . . 25.0 110.583 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.22 -34.74 68.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -70.32 -38.25 74.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.175 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.4 m -62.1 -42.21 99.0 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.915 -0.491 . . . . 25.0 111.254 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.73 -35.81 75.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.879 0.309 . . . . 25.0 110.324 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.29 -33.85 76.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.744 -0.207 . . . . 25.0 111.038 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -66.59 -38.71 87.59 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.734 -0.604 . . . . 25.0 112.105 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.6 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 -171.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -10.91 30.25 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.175 -0.953 . . . . 25.0 111.549 172.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -80.77 -25.77 37.7 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 119.38 -0.343 . . . . 25.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -69.21 110.17 4.45 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -106.1 -7.1 18.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.29 1.589 . . . . 25.0 115.29 -172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.93 -30.84 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 25.0 111.022 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -135.79 120.78 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.83 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.686 0.625 . . . . 25.0 112.686 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.83 -32.85 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.585 0.707 . . . . 25.0 110.629 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.92 -47.95 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.862 -0.524 . . . . 25.0 110.243 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -70.01 -30.31 67.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.6 -0.84 . . . . 25.0 111.2 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.81 -41.98 58.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.106 -0.996 . . . . 25.0 111.309 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.47 -36.15 78.57 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.576 -0.703 . . . . 25.0 111.477 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.8 p -67.5 -37.24 82.52 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.944 -0.702 . . . . 25.0 109.981 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -67.84 -39.16 83.88 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -60.33 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.94 -43.73 98.23 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 122.19 -0.319 . . . . 25.0 111.372 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.45 -44.52 80.57 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.463 0.649 . . . . 25.0 110.55 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -70.11 -35.77 74.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.864 -0.523 . . . . 25.0 111.906 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -64.38 -34.19 77.58 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 25.0 111.875 176.555 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.04 -46.82 75.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.97 0.908 . . . . 25.0 109.504 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 p -60.99 -29.35 69.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.53 -39.16 62.53 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 121.396 -0.815 . . . . 25.0 109.842 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.608 -0.515 . . . . 25.0 109.608 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -62.82 -40.54 97.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.745 0.307 . . . . 25.0 111.009 176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -63.21 -43.66 97.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 111.076 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.57 -41.27 88.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -57.77 -42.03 83.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.088 -0.383 . . . . 25.0 111.508 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.88 97.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 25.0 110.351 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -63.65 -35.8 81.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.408 . . . . 25.0 110.734 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.45 -39.14 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.047 -0.408 . . . . 25.0 110.185 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -65.17 -37.61 87.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.054 -0.658 . . . . 25.0 110.258 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -76.26 -34.26 59.14 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 88.4 p -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 83.0 mt -135.28 30.86 3.23 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.984 0.421 . . . . 25.0 111.309 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -68.04 163.05 23.19 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 120.668 0.271 . . . . 25.0 110.7 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 36.5 pt -93.31 -7.62 10.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 116.722 -0.217 . . . . 25.0 110.827 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.77 -33.1 25.09 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.573 0.702 . . . . 25.0 111.983 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 11.6 t30 175.21 144.37 0.06 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 102.309 -3.219 . . . . 25.0 102.309 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.79 154.9 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.76 1.392 . . . . 25.0 114.76 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -104.47 101.6 11.27 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.65 -0.704 . . . . 25.0 110.732 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.36 -44.54 75.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.044 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -66.05 -37.48 85.94 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.64 -34.54 78.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.318 0.508 . . . . 25.0 110.249 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.91 -43.43 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.193 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.76 -43.8 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.43 -39.08 93.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.087 0.47 . . . . 25.0 111.138 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.964 0.411 . . . . 25.0 110.428 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.65 -42.52 91.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.274 -0.421 . . . . 25.0 110.218 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.33 -39.48 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 25.0 111.858 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.05 -42.08 93.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.796 0.331 . . . . 25.0 110.492 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -35.9 77.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.045 0.45 . . . . 25.0 110.543 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.27 75.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -12.76 59.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 136.71 52.97 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.292 1.044 . . . . 25.0 113.492 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -83.24 60.06 5.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.34 -1.3 . . . . 25.0 108.858 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.62 139.81 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.679 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 60.5 p -81.01 162.3 23.88 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.114 0.483 . . . . 25.0 110.375 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.6 ttt -61.48 -41.24 96.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.601 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.25 -34.72 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.154 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -68.78 -39.15 80.34 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.167 -0.613 . . . . 25.0 110.26 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.08 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -64.26 -33.49 75.94 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 122.454 0.301 . . . . 25.0 111.682 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -75.72 -28.94 58.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -101.57 46.96 0.92 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m -64.36 -27.41 69.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.95 0.881 . . . . 25.0 109.414 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.99 -33.37 74.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.392 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -64.69 -34.4 78.21 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.601 -0.687 . . . . 25.0 109.486 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.9 mm -67.79 -35.04 71.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -63.52 -40.28 96.62 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.125 -0.36 . . . . 25.0 110.034 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 9.3 m -59.63 -49.16 78.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.52 -46.68 88.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.12 0.486 . . . . 25.0 110.618 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -49.79 -40.97 43.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -61.63 -44.36 97.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 23.4 mt -54.41 -18.05 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -57.59 -21.81 41.19 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.907 -1.12 . . . . 25.0 112.287 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -82.43 -7.75 59.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -74.73 72.34 2.0 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 166.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -72.65 -2.03 18.51 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.788 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.426 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.9 OUTLIER -71.11 -29.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.518 -177.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 46.5 t -124.88 120.15 30.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -72.95 -30.24 63.71 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.1 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.66 -39.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.681 -0.637 . . . . 25.0 110.705 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.42 -43.79 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.465 -0.494 . . . . 25.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.82 -27.86 64.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 119.398 -0.921 . . . . 25.0 111.113 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.61 -45.92 77.57 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.619 -0.676 . . . . 25.0 110.218 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.59 -38.95 92.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 50.3 m -60.67 -35.94 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.226 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 417' ' ' THR . . . . . 0.494 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 38.4 m -68.17 -37.03 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.979 -0.45 . . . . 25.0 111.449 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.1 -42.74 99.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.41 -37.69 74.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 119.308 -0.377 . . . . 25.0 111.657 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 24.4 m-85 -57.48 -42.66 83.09 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.62 -36.04 82.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 25.0 110.558 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -177.179 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -62.73 -36.85 84.33 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.792 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.2 t -60.1 -42.1 93.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.948 0.404 . . . . 25.0 111.419 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -66.27 -41.39 89.95 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.915 -0.714 . . . . 25.0 109.267 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.88 -40.35 92.67 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.006 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -59.42 -41.37 89.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.213 -0.304 . . . . 25.0 111.511 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -62.9 -44.46 96.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.14 -43.67 98.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -61.07 -38.05 84.85 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.975 0.416 . . . . 25.0 111.204 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.69 80.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.882 0.372 . . . . 25.0 110.022 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.73 -41.91 90.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -73.21 -43.3 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.91 -0.494 . . . . 25.0 111.413 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.17 -41.06 97.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.9 p -73.35 -11.39 60.47 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 64.0 mt -114.56 15.83 17.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.823 0.344 . . . . 25.0 111.363 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -77.77 142.88 38.38 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 34.4 pt -68.27 -12.87 16.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.761 0.791 . . . . 25.0 111.473 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.07 -36.1 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.609 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -168.42 65.75 0.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.634 -0.876 . . . . 25.0 108.634 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 125.19 26.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.442 . . . . 25.0 112.178 -173.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -128.42 103.29 7.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.292 1.044 . . . . 25.0 110.575 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.43 -39.96 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.002 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.82 -43.97 82.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 120.831 0.348 . . . . 25.0 110.384 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.22 -31.73 72.74 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.982 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.9 t -62.75 -43.26 99.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -43.77 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.462 -0.336 . . . . 25.0 110.489 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -39.23 92.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 122.059 -0.401 . . . . 25.0 111.854 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.83 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.453 0.644 . . . . 25.0 110.313 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.58 -37.5 73.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.405 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.5 -32.08 64.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.78 -25.53 61.2 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 120.987 -1.071 . . . . 25.0 108.938 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -39.36 75.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.57 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.567 0.347 . . . . 25.0 111.845 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 13.5 t -79.29 -18.49 52.57 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.634 0.73 . . . . 25.0 109.762 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.35 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.147 0.499 . . . . 25.0 109.75 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.15 79.24 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.24 156.17 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.934 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.1 p -78.22 161.52 27.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -63.5 -26.1 68.56 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.735 0.302 . . . . 25.0 110.778 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.31 -39.77 94.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 25.0 109.908 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -72.57 -35.47 67.97 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.99 92.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.53 -36.07 68.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 25.0 111.253 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.67 -31.99 73.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.557 0.694 . . . . 25.0 109.634 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -114.21 50.67 0.92 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.596 -0.729 . . . . 25.0 110.646 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 95.7 m -63.62 -22.76 67.07 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.122 0.963 . . . . 25.0 108.741 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.58 -33.46 68.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.353 -0.84 . . . . 25.0 112.425 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.87 -36.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.806 -0.559 . . . . 25.0 109.835 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.44 -39.96 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.9 m -63.75 -44.56 93.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.506 -0.554 . . . . 25.0 109.506 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 47.9 m -60.27 -45.46 93.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.057 0.392 . . . . 25.0 112.057 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.15 -35.77 76.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.41 0.624 . . . . 25.0 111.793 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -64.28 -34.79 78.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.528 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -72.29 -44.96 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -13.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.06 -17.01 50.12 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.36 -15.88 51.21 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -48.6 117.66 2.14 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.988 0.423 . . . . 25.0 110.485 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -96.03 -36.35 11.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.092 1.886 . . . . 25.0 116.092 -164.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.23 -9.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 114.991 1.478 . . . . 25.0 114.991 -170.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.3 t -143.75 120.45 11.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.4 0.619 . . . . 25.0 110.495 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -76.06 -9.78 58.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 25.0 111.65 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.35 -41.94 86.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.603 -0.686 . . . . 25.0 109.777 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.58 -42.43 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 122.372 -0.205 . . . . 25.0 111.504 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.6 ptm -65.95 -33.47 75.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.526 -0.734 . . . . 25.0 110.531 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -72.38 -44.38 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -63.05 -39.36 94.51 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.664 -0.648 . . . . 25.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.2 p -70.23 -39.98 74.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 2.3 t -72.96 -28.81 62.63 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.818 -0.551 . . . . 25.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.5 ttp -60.81 -48.91 79.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.941 0.4 . . . . 25.0 110.216 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.66 -43.36 93.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 25.0 110.03 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -57.36 -40.44 78.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.13 -0.487 . . . . 25.0 110.737 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.06 -42.08 89.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.618 -0.265 . . . . 25.0 111.461 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.0 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.976 -0.29 . . . . 25.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 -179.086 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.312 1.529 . . . . 25.0 114.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.32 -36.78 85.23 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.073 -0.967 . . . . 25.0 111.357 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.1 m -61.71 -30.91 71.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.509 0.671 . . . . 25.0 111.05 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -77.49 -36.41 52.72 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.778 -0.576 . . . . 25.0 110.589 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.26 -38.5 85.23 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.64 -0.424 . . . . 25.0 110.209 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.66 -42.36 98.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.066 -0.254 . . . . 25.0 110.347 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.29 -44.83 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.184 -0.322 . . . . 25.0 111.479 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -41.25 86.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.01 -41.22 96.12 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.045 -0.409 . . . . 25.0 112.043 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.02 87.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.622 0.725 . . . . 25.0 110.587 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.63 -28.61 69.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.125 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.91 -45.95 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 121.727 0.775 . . . . 25.0 110.423 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.48 -35.12 78.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.297 -0.561 . . . . 25.0 111.72 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 361' ' ' ASN . . . . . 0.406 ' HA ' ' HE3' ' B' ' 364' ' ' LYS . 87.3 m-20 -70.1 -32.79 70.99 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 56.6 p -88.04 -5.6 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.8 41.97 3.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.381 0.61 . . . . 25.0 111.537 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 364' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 361' ' ' ASN . 99.4 mttt -71.12 172.55 8.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.849 -0.614 . . . . 25.0 109.884 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.907 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.53 -36.19 16.53 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.911 1.449 . . . . 25.0 114.911 -170.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.39 105.3 5.9 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 2.1 pp -133.76 154.89 50.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -117.84 105.2 11.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.263 0.554 . . . . 25.0 110.863 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.92 -45.01 87.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 114.969 -1.014 . . . . 25.0 111.999 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -71.46 -36.68 71.28 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.399 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -62.96 -34.75 78.18 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.864 -0.522 . . . . 25.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.81 -41.23 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.371 0.605 . . . . 25.0 110.437 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -46.52 94.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.106 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.73 -44.59 93.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.118 0.485 . . . . 25.0 111.337 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.89 97.51 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.253 0.549 . . . . 25.0 110.568 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.49 -41.37 76.2 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.897 -0.502 . . . . 25.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.29 -37.56 83.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.948 0.34 . . . . 25.0 111.711 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -64.06 -39.89 95.06 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.531 -0.731 . . . . 25.0 109.881 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -32.08 73.48 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.278 0.561 . . . . 25.0 110.676 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.38 71.93 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.515 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 24.9 m -79.56 -20.78 46.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 114.217 1.191 . . . . 25.0 114.217 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.53 131.06 41.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.34 0.591 . . . . 25.0 112.121 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.12 55.97 3.32 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.686 0.755 . . . . 25.0 109.704 174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.79 134.73 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.8 p -81.87 160.22 23.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.274 0.559 . . . . 25.0 112.003 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -62.34 -28.36 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.87 -33.95 68.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.278 0.561 . . . . 25.0 111.006 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -78.85 -35.28 44.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.299 -0.876 . . . . 25.0 110.328 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.69 68.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.704 0.402 . . . . 25.0 110.986 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.6 -32.26 65.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.96 0.504 . . . . 25.0 112.248 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.04 -7.04 53.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.29 43.09 3.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.29 -0.414 . . . . 25.0 112.063 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -64.6 -29.01 70.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.939 0.876 . . . . 25.0 109.706 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -62.77 -35.75 80.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.794 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.48 -31.17 71.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.194 0.521 . . . . 25.0 110.077 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.41 -38.33 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -64.42 -40.87 96.6 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.6 m -60.79 -45.07 95.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 119.602 -0.237 . . . . 25.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.17 -38.93 71.58 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.1 0.476 . . . . 25.0 110.602 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.83 -31.63 72.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 25.0 112.074 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.54 -36.84 71.11 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.21 0.459 . . . . 25.0 111.217 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.51 -17.57 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -171.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -12.52 15.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.777 -1.202 . . . . 25.0 112.79 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.25 -14.17 50.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.28 95.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.505 -0.747 . . . . 25.0 112.134 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -100.03 6.11 45.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.93 -24.85 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -150.85 119.98 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.39 -25.25 64.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.609 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.91 -37.44 54.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-O 121.79 0.805 . . . . 25.0 110.48 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.11 -42.21 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 121.948 -0.47 . . . . 25.0 112.16 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -68.54 -30.98 69.89 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.518 -0.739 . . . . 25.0 110.438 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -67.61 -52.49 37.74 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.46 -41.76 98.61 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.137 -0.352 . . . . 25.0 111.64 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.2 p -64.92 -36.89 85.84 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.744 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 59.3 m -65.57 -39.44 91.67 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.58 -43.14 97.85 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 122.135 -0.353 . . . . 25.0 110.714 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.2 -38.21 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.144 -0.347 . . . . 25.0 111.568 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -62.11 -38.61 89.53 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -67.89 -32.86 73.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.02 -33.4 74.29 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 115.243 1.571 . . . . 25.0 115.243 -177.554 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.38 -57.59 11.61 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.061 -1.024 . . . . 25.0 113.061 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.5 m -64.77 -28.23 69.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.829 -0.545 . . . . 25.0 112.46 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -66.19 -46.93 75.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.41 -37.98 71.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.673 -177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -55.36 -47.02 76.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.636 0.255 . . . . 25.0 110.433 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -63.83 -44.8 92.14 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.623 -0.431 . . . . 25.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.24 -43.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.78 -40.44 92.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.621 0.248 . . . . 25.0 111.28 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.9 87.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.858 0.361 . . . . 25.0 110.568 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.99 -30.2 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.358 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.65 -44.82 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.08 -41.01 67.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -37.53 87.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.7 p -77.59 -10.64 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.453 1.279 . . . . 25.0 114.453 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.22 15.83 11.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -81.85 157.04 24.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.007 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.82 -21.11 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.231 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.06 -33.42 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.576 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -170.42 95.35 0.23 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.514 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.47 116.09 16.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -127.54 92.88 3.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.789 1.28 . . . . 25.0 109.905 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.09 -41.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.112 -1.403 . . . . 25.0 111.19 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.43 -38.6 74.6 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.155 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -61.21 -37.83 84.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.007 0.432 . . . . 25.0 110.635 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.4 t -65.14 -42.68 93.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.305 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.88 -43.85 97.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.734 0.302 . . . . 25.0 110.707 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.44 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.33 0.586 . . . . 25.0 110.728 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.26 -38.51 75.13 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.943 -0.473 . . . . 25.0 111.005 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -74.81 -26.92 60.06 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.953 -0.467 . . . . 25.0 111.327 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.89 -41.77 92.32 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 170.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -37.49 81.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.71 -24.9 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 25.0 111.439 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.0 m -84.0 -8.34 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.529 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.0 mt -96.77 136.08 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.709 . . . . 25.0 110.874 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.17 62.14 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.623 0.725 . . . . 25.0 110.947 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.08 121.02 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.1 p -87.21 165.74 15.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.779 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 19.9 ptp -62.29 -26.54 68.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.624 0.249 . . . . 25.0 111.257 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.75 -39.7 80.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 25.0 110.207 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.02 -34.35 61.89 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.65 74.05 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 122.181 -0.325 . . . . 25.0 110.581 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.39 -20.61 66.45 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.85 -15.16 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.415 0.626 . . . . 25.0 110.775 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -127.86 45.0 2.82 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -26.73 66.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 122.303 1.049 . . . . 25.0 111.013 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -69.19 -29.04 66.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.577 -1.192 . . . . 25.0 111.253 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.7 ttp -67.83 -31.97 72.18 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.39 -35.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.3 m -62.19 -41.43 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.4 m -62.83 -45.73 91.22 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.151 -0.343 . . . . 25.0 110.915 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.72 -36.24 76.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.481 0.658 . . . . 25.0 111.059 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -61.77 -34.5 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.808 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.83 -55.31 5.95 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -25.71 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 116.515 2.043 . . . . 25.0 116.515 -164.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -62.02 -10.86 11.03 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -81.09 -17.47 49.91 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -49.62 107.5 0.15 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.475 0.655 . . . . 25.0 112.388 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -65.69 -31.95 73.24 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.116 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.53 7.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 115.422 1.638 . . . . 25.0 115.422 -163.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.0 t -148.42 119.95 7.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.92 0.867 . . . . 25.0 112.619 173.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.61 -24.2 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.61 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.97 -39.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 121.869 -0.519 . . . . 25.0 109.629 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.02 -42.23 95.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.67 -30.63 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.077 -1.049 . . . . 25.0 112.28 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -46.76 60.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.685 0.675 . . . . 25.0 110.047 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.62 -47.37 85.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.258 0.552 . . . . 25.0 111.588 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 44.4 p -65.42 -36.52 84.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.633 -0.427 . . . . 25.0 111.01 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.9 m -69.54 -41.87 75.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.968 -0.458 . . . . 25.0 110.262 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 22.7 ttt -58.16 -51.34 70.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.995 0.426 . . . . 25.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.62 -43.88 88.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.406 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.08 -43.03 95.77 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.525 -0.47 . . . . 25.0 110.218 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -64.56 -39.73 94.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.161 -0.337 . . . . 25.0 111.034 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.87 -45.12 90.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -175.923 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 116.22 1.933 . . . . 25.0 116.22 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -52.81 -55.09 25.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.473 1.109 . . . . 25.0 112.78 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.3 m -65.48 -28.09 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.94 -43.02 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.24 -37.53 85.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.639 -0.255 . . . . 25.0 110.503 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.69 -45.05 86.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.21 -0.196 . . . . 25.0 110.537 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -65.04 -43.92 90.78 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.816 -0.353 . . . . 25.0 111.517 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.15 -44.73 99.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -58.83 -43.15 90.62 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.127 -0.358 . . . . 25.0 110.74 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.2 -40.32 94.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.638 0.256 . . . . 25.0 110.734 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 25.0 110.078 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.25 -41.65 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.947 -0.47 . . . . 25.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -61.44 -28.54 69.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -95.24 -20.74 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 97.3 p -68.56 -25.95 65.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.638 0.977 . . . . 25.0 113.638 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.04 48.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.389 0.614 . . . . 25.0 110.562 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.69 170.5 8.13 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.402 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.57 -35.27 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.361 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.18 -39.94 64.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.915 0.886 . . . . 25.0 112.173 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -173.54 130.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.14 111.05 22.57 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.357 0.599 . . . . 25.0 109.801 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -105.07 84.79 2.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.31 -47.03 78.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.872 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -70.78 -33.67 70.99 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -59.54 -38.84 82.12 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.52 -44.31 94.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.64 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.51 -47.39 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.391 -0.225 . . . . 25.0 110.391 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.17 -44.2 97.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.192 0.52 . . . . 25.0 111.159 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.59 99.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 25.0 110.489 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.13 -36.12 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.435 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -36.72 61.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -68.15 -34.43 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 118.483 -1.287 . . . . 25.0 107.692 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.8 -31.58 72.62 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.029 0.442 . . . . 25.0 110.758 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.61 69.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.436 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 m -84.01 -21.21 31.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.99 143.05 50.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -79.3 68.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.631 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 118.28 23.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.3 p -80.41 165.63 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.794 0.331 . . . . 25.0 110.251 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -60.74 -32.17 71.47 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 122.09 -0.381 . . . . 25.0 111.83 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.47 -35.88 80.05 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.771 -0.58 . . . . 25.0 110.494 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -69.37 -37.67 77.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.41 93.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.264 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -63.98 -42.13 97.32 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -66.9 -36.06 81.42 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.494 0.664 . . . . 25.0 110.902 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -104.16 45.37 0.96 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.656 -0.702 . . . . 25.0 109.477 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 93.6 m -67.58 -27.04 66.6 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.87 -29.02 69.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.12 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.5 ttp -69.88 -28.82 65.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.49 -38.53 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -62.31 -41.61 98.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.3 m -61.28 -46.16 91.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 119.279 -0.391 . . . . 25.0 111.626 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.25 -39.08 81.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.321 0.581 . . . . 25.0 110.129 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.531 . . . . 25.0 111.005 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -63.56 -37.65 88.14 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.356 . . . . 25.0 111.96 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.6 mt -61.07 -15.4 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 114.131 1.159 . . . . 25.0 114.131 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -60.02 -11.87 6.8 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.85 -1.156 . . . . 25.0 113.649 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -81.07 -22.23 39.4 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 122.063 -0.398 . . . . 25.0 111.12 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -75.84 89.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -98.25 4.27 48.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.121 0.486 . . . . 25.0 110.621 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.41 -29.69 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.179 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -147.05 120.11 8.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.039 0.447 . . . . 25.0 110.202 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -70.05 -26.67 64.13 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.823 1.416 . . . . 25.0 114.823 -174.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.07 -32.95 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.423 0.63 . . . . 25.0 111.195 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.14 -40.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 121.892 -0.505 . . . . 25.0 110.62 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 ptp -71.01 -30.8 67.13 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 119.234 -0.987 . . . . 25.0 110.326 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.13 -46.46 77.43 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.942 0.401 . . . . 25.0 110.535 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -64.67 -45.59 86.08 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.014 -0.429 . . . . 25.0 110.594 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 57.2 p -68.52 -35.23 77.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 5.6 t -72.97 -31.97 64.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.99 0.814 . . . . 25.0 110.181 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -65.69 -42.59 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.13 -43.36 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.315 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -55.48 -40.73 72.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.935 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -71.28 -31.67 67.75 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.82 -38.0 82.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.647 -0.658 . . . . 25.0 110.19 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -178.045 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.6 tpt . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.51 -41.83 66.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.778 1.231 . . . . 25.0 110.909 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.6 m -65.09 -29.82 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -77.61 -40.48 41.86 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 177.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 178.174 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -60.43 -43.39 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.005 0.366 . . . . 25.0 111.181 173.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -39.71 95.11 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.905 -0.318 . . . . 25.0 111.158 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.14 -43.33 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -58.85 -42.88 90.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.009 -0.432 . . . . 25.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.71 96.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.01 -41.69 99.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.59 -44.4 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.845 -0.535 . . . . 25.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -62.75 -34.08 76.48 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.43 -0.508 . . . . 25.0 112.146 179.312 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -88.41 -11.12 46.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.689 0.625 . . . . 25.0 112.689 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 89.4 p -77.51 -30.74 53.12 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.53 -0.732 . . . . 25.0 111.198 -178.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.71 63.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -111.38 152.79 26.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.12 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 -174.687 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.54 -32.88 73.9 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -172.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -161.12 94.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.06 117.99 22.67 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.79 -0.764 . . . . 25.0 112.265 -175.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -100.81 83.0 2.48 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.503 -175.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.5 t -53.29 -46.54 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 25.0 112.707 -177.321 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -68.77 -36.43 78.32 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.452 HH21 ' CD ' ' B' ' 375' ' ' GLU . 2.1 mmp_? -63.07 -32.33 73.68 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.554 -0.458 . . . . 25.0 110.616 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.7 -47.06 82.67 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.805 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.43 -44.84 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 375' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 372' ' ' ARG . 47.8 mt-10 -61.67 -44.67 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.504 0.193 . . . . 25.0 111.483 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.052 -0.405 . . . . 25.0 111.006 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.14 -41.17 90.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 178.071 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -69.86 -33.66 72.56 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.56 -46.53 89.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.271 -1.011 . . . . 25.0 108.271 174.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -30.89 69.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 25.0 111.043 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.89 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 177.094 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 17.4 m -80.27 -24.34 40.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -177.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.15 110.51 16.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.275 0.56 . . . . 25.0 111.532 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -79.32 74.99 5.91 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 174.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.33 156.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 55.1 p -77.1 161.25 28.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.083 0.468 . . . . 25.0 110.685 -177.216 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -65.66 -29.43 69.99 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.831 -0.543 . . . . 25.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 8.1 pm0 -71.96 -25.34 61.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.926 -0.484 . . . . 25.0 111.236 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.11 -33.78 63.7 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.262 -0.899 . . . . 25.0 108.987 175.135 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.61 78.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 175.045 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.68 -36.79 84.67 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.272 0.558 . . . . 25.0 110.96 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.91 -28.63 68.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.031 0.443 . . . . 25.0 111.299 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -116.34 47.89 1.35 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 25.0 110.89 -177.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 54.0 m -67.74 -26.18 66.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 176.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -59.81 -39.58 85.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 25.0 110.216 175.037 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 63.1 ttp -64.61 -27.53 69.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.951 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.33 -35.79 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.9 m -65.93 -39.67 90.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 173.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 26.5 m -59.07 -46.39 88.39 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.322 -0.236 . . . . 25.0 110.955 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 77.5 mt -59.93 -38.57 82.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.296 0.57 . . . . 25.0 110.966 176.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -33.03 74.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.847 -178.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -67.0 -42.12 85.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.908 0.322 . . . . 25.0 111.196 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 27.3 mt -61.78 -16.4 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -172.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -58.84 -13.84 7.28 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.777 -1.202 . . . . 25.0 113.094 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -12.06 46.15 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -74.55 75.98 1.97 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.302 1.049 . . . . 25.0 110.037 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -85.07 0.71 50.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.146 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.85 -21.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 123.758 0.661 . . . . 25.0 109.854 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.5 t -140.02 120.2 13.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 172.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 410' ' ' GLN . . . . . 0.435 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 7.0 mp0 -66.21 -31.58 72.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.068 -0.253 . . . . 25.0 111.048 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.92 -36.97 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.316 0.579 . . . . 25.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.26 -46.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.985 -1.072 . . . . 25.0 109.788 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 413' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 29.0 ptm -69.64 -30.79 68.58 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 119.092 -1.043 . . . . 25.0 111.665 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.78 -39.86 66.4 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.3 -0.875 . . . . 25.0 111.318 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.78 -44.63 73.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.901 -0.499 . . . . 25.0 109.992 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 33.1 p -62.67 -37.15 85.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.088 -0.645 . . . . 25.0 110.4 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -66.66 -40.08 88.46 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.991 -0.443 . . . . 25.0 110.923 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.96 -43.23 99.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.01 0.433 . . . . 25.0 110.807 177.479 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.46 -38.2 83.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.008 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.84 -36.05 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.95 -34.64 68.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.204 0.601 . . . . 25.0 112.074 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -177.632 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -28.85 70.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 120.839 -1.163 . . . . 25.0 112.111 -177.43 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -30.24 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -73.22 -38.35 66.08 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.25 -36.42 84.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.447 -0.158 . . . . 25.0 110.689 178.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.45 -42.97 99.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.711 -0.478 . . . . 25.0 109.711 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.23 -40.63 86.38 Favored 'General case' 0 C--O 1.209 -1.039 0 C-N-CA 121.063 -0.255 . . . . 25.0 111.47 178.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.1 -43.99 98.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.556 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 177.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.63 -41.06 94.11 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.635 -0.666 . . . . 25.0 111.379 178.022 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.12 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.64 -35.55 80.89 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.827 0.451 . . . . 25.0 111.221 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.29 -44.85 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 176.518 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -63.85 -30.66 71.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.338 -0.851 . . . . 25.0 110.354 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.35 -12.16 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 96.6 p -94.0 -22.39 18.58 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.429 1.27 . . . . 25.0 114.429 -177.083 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.431 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 1.3 mp -115.48 23.06 12.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.783 0.801 . . . . 25.0 110.558 -179.718 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -81.0 157.88 25.35 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.671 -0.695 . . . . 25.0 109.603 175.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 49.2 pt -69.89 -21.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.43 -37.49 56.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.987 1.106 . . . . 25.0 113.987 -172.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.83 72.16 0.77 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.306 -1.368 . . . . 25.0 107.306 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.4 OUTLIER -72.36 128.9 37.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 25.0 109.832 -177.6 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -136.8 110.22 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 25.0 110.381 -179.184 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.38 -44.8 97.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.439 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.124 -0.36 . . . . 25.0 111.237 -176.067 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -57.07 -39.32 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.078 0.466 . . . . 25.0 110.619 178.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.92 -43.33 88.44 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.356 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.72 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.76 -39.38 87.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.61 0.226 . . . . 25.0 111.61 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.76 90.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.636 0.731 . . . . 25.0 110.081 177.585 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.51 -33.03 72.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.879 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.11 -32.49 63.22 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.071 -0.393 . . . . 25.0 112.006 -178.554 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.24 -40.76 95.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.853 0.835 . . . . 25.0 108.964 172.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -27.68 66.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 25.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.03 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.271 -0.268 . . . . 25.0 110.601 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 47.1 t -81.65 -32.79 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 25.0 111.235 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.4 135.2 52.81 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -81.85 72.55 8.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.456 -0.793 . . . . 25.0 110.612 177.606 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.38 119.85 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.9 p -74.24 162.88 28.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 23.2 ptp -63.31 -30.14 71.33 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.561 -0.455 . . . . 25.0 111.201 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.44 -35.26 75.5 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.234 0.54 . . . . 25.0 110.548 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -70.75 -36.3 73.05 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.473 -0.767 . . . . 25.0 109.592 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.9 90.01 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 176.293 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.59 -38.48 91.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.293 0.568 . . . . 25.0 110.96 177.438 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.16 -36.01 64.07 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.302 0.573 . . . . 25.0 111.59 179.091 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -109.72 44.91 1.13 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.095 0.474 . . . . 25.0 110.589 -175.025 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 32.8 m -69.5 -21.57 63.67 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -177.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.18 -31.73 73.03 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.368 0.604 . . . . 25.0 111.998 175.251 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -69.73 -34.26 73.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 175.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 39.3 mm -68.37 -31.93 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.2 m -63.38 -47.0 83.86 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.736 -0.602 . . . . 25.0 109.608 174.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 28.4 m -63.56 -40.97 98.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.812 0.339 . . . . 25.0 110.948 177.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.48 -36.09 75.35 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.718 0.807 . . . . 25.0 111.442 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -63.6 -38.62 91.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.921 176.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.77 -31.98 65.28 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -174.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.431 ' H ' HG13 ' B' ' 403' ' ' ILE . 0.9 OUTLIER -61.11 -19.32 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-O 121.359 0.599 . . . . 25.0 112.169 -177.884 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -68.32 -11.12 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.632 -0.667 . . . . 25.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -83.53 -5.84 59.28 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.369 -0.207 . . . . 25.0 111.241 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.04 68.82 4.16 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.704 0.764 . . . . 25.0 108.976 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.04 -18.97 60.67 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -169.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.92 -16.12 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.203 0.446 . . . . 25.0 112.203 -177.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -129.09 116.52 19.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 122.042 0.925 . . . . 25.0 112.705 176.135 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.38 -36.81 68.8 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.364 -0.834 . . . . 25.0 112.584 -178.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.73 -37.7 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.609 -0.682 . . . . 25.0 110.897 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.66 -46.55 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.115 -0.366 . . . . 25.0 110.727 178.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.98 -30.05 68.39 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 119.753 -0.779 . . . . 25.0 110.499 -178.151 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.43 -49.86 56.86 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.021 -0.272 . . . . 25.0 111.161 176.158 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -61.05 -42.96 99.47 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.141 0.496 . . . . 25.0 110.433 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 25.0 p -69.17 -34.71 75.36 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.424 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.3 m -67.67 -40.14 84.48 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.604 -0.685 . . . . 25.0 110.238 176.196 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.7 ttp -59.97 -44.36 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.57 -38.88 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.811 0.338 . . . . 25.0 111.171 177.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -39.57 87.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.52 -34.76 70.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.126 0.489 . . . . 25.0 111.806 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.25 -32.6 73.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.706 0.403 . . . . 25.0 110.878 178.419 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.073 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.73 -51.54 68.44 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 120.753 -1.217 . . . . 25.0 111.076 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -64.96 -27.95 69.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.936 0.398 . . . . 25.0 111.937 -178.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.07 -45.39 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.034 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -41.54 87.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 25.0 109.993 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.29 -38.57 89.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.386 -0.196 . . . . 25.0 111.116 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -62.93 -41.96 99.64 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.263 -0.273 . . . . 25.0 111.095 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.98 -44.78 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 356' ' ' HIS . . . . . 0.444 ' HD2' HG21 ' B' ' 399' ' ' THR . 62.5 m80 -65.44 -27.57 68.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.746 -0.596 . . . . 25.0 112.414 178.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.97 89.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.48 -36.27 78.72 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.63 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.061 -1.025 . . . . 25.0 110.472 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.644 -0.66 . . . . 25.0 110.594 176.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.16 -31.37 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.697 0.628 . . . . 25.0 112.697 178.04 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.1 p -81.96 -13.46 57.43 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -172.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.6 mt -120.82 25.72 9.52 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.732 0.696 . . . . 25.0 110.399 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -79.56 170.18 16.94 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.521 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.55 -33.4 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -40.1 87.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -172.661 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -168.44 137.5 2.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.364 -2.828 . . . . 25.0 103.364 178.052 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.11 143.83 46.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.782 0.719 . . . . 25.0 110.562 -176.552 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -124.15 103.05 8.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.126 0.965 . . . . 25.0 109.569 -172.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.11 -43.63 81.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.399 -1.273 . . . . 25.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.65 -39.49 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.24 -0.288 . . . . 25.0 111.441 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -60.25 -39.21 85.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.17 -42.77 99.45 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.487 -0.485 . . . . 25.0 110.552 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.15 -47.32 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.07 -42.92 99.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 25.0 110.9 -179.067 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.14 88.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 25.0 111.204 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.81 -38.61 89.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 177.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -74.86 -26.95 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.68 -44.08 85.53 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 171.225 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -26.94 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.519 -0.764 . . . . 25.0 111.887 -178.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.54 69.56 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 176.3 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 32.4 t -79.29 -32.26 43.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.029 0.443 . . . . 25.0 110.157 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 69.7 mt -63.62 131.67 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.144 0.973 . . . . 25.0 111.307 178.182 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -83.16 71.2 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.864 -1.062 . . . . 25.0 109.479 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.04 123.17 30.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 43.9 p -78.67 163.73 25.2 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -178.009 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.4 ptp -62.32 -31.42 72.03 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.845 -0.534 . . . . 25.0 112.097 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.49 -37.71 74.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.285 0.564 . . . . 25.0 109.928 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -69.83 -38.31 76.5 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.99 90.32 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.07 -0.394 . . . . 25.0 110.287 177.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -64.17 -42.72 96.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 25.0 110.64 177.305 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -66.97 -35.94 81.08 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.471 0.653 . . . . 25.0 109.802 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -97.15 54.99 1.26 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.89 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 91.1 m -66.65 -20.42 65.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.327 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.8 -35.75 71.25 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.64 172.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 29.5 ttp -66.7 -39.64 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.859 -0.525 . . . . 25.0 109.797 177.607 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.01 -42.71 97.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.7 m -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.127 177.484 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 399' ' ' THR . . . . . 0.444 HG21 ' HD2' ' B' ' 356' ' ' HIS . 33.7 m -65.1 -45.1 86.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.205 -0.309 . . . . 25.0 111.222 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.0 -36.41 81.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 25.0 110.963 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -58.7 -38.35 78.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 25.0 111.491 177.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.01 -46.44 74.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.932 0.396 . . . . 25.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.8 -18.07 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 25.0 112.065 -173.248 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.03 -10.99 11.44 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.223 -0.923 . . . . 25.0 112.964 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.97 -20.26 42.3 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 122.23 -0.294 . . . . 25.0 111.462 174.259 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -78.37 101.74 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -105.54 -7.78 18.41 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -12.04 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -176.411 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.1 m -142.12 120.0 11.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 167.385 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.63 -30.91 71.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.435 0.636 . . . . 25.0 110.819 -177.38 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.47 -40.45 84.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.716 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.06 -47.24 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 122.031 -0.418 . . . . 25.0 111.669 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.3 ptm -65.9 -30.07 70.6 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -78.96 -39.73 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 177.451 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.7 -44.53 96.01 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.264 -0.897 . . . . 25.0 108.754 175.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.1 p -65.29 -37.05 85.96 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.451 -0.5 . . . . 25.0 111.982 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.2 t -73.94 -30.86 62.77 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.891 0.768 . . . . 25.0 111.194 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.9 ttp -64.35 -45.47 87.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 176.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.676 0.274 . . . . 25.0 110.691 177.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -58.0 -44.56 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.86 -35.35 74.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 178.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -60.16 -30.9 69.63 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.151 0.58 . . . . 25.0 111.522 179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.246 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 115.973 1.842 . . . . 25.0 115.973 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.15 -34.92 77.29 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 120.606 -1.309 . . . . 25.0 112.469 -176.258 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -59.38 -31.1 68.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.871 -0.518 . . . . 25.0 112.134 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.24 60.4 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.29 -41.25 81.26 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -176.222 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.86 -32.45 73.72 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.425 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -62.76 -43.13 99.6 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 177.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -44.76 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.288 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -59.23 -40.85 87.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.342 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.78 90.59 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.36 -0.213 . . . . 25.0 111.167 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.9 -40.1 87.63 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.74 -0.384 . . . . 25.0 109.982 178.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.97 -39.25 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.694 -0.629 . . . . 25.0 110.93 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -65.59 -19.63 65.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -98.99 -35.78 9.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.281 0.562 . . . . 25.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 81.1 p -75.78 6.15 5.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 116.449 2.018 . . . . 25.0 116.449 -173.009 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.4 mt -137.24 21.34 2.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.372 0.606 . . . . 25.0 110.565 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.13 163.87 27.16 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 18.5 tt -71.75 -36.7 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -175.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.73 -44.93 15.05 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -171.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -166.78 144.87 5.12 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 105.217 -2.142 . . . . 25.0 105.217 175.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 152.72 39.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.75 92.87 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.851 175.443 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.68 -47.3 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 120.937 0.398 . . . . 25.0 112.053 -176.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -67.15 -36.81 82.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -174.454 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -63.23 -30.57 71.69 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.375 -0.53 . . . . 25.0 111.097 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 3.8 t -65.98 -41.06 91.62 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.402 176.662 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.1 -40.83 90.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.94 -44.13 73.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 25.0 111.225 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.8 87.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.159 0.504 . . . . 25.0 111.096 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.34 -31.13 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.204 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.6 0.714 . . . . 25.0 110.389 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.5 -39.14 92.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.693 . . . . 25.0 109.619 178.2 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -36.63 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.405 . . . . 25.0 110.511 179.192 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.36 67.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.537 -0.301 . . . . 25.0 111.315 -179.167 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 33.3 m -84.05 -13.85 52.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.16 141.76 33.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.701 . . . . 25.0 112.492 -178.568 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.19 63.43 5.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.341 -0.845 . . . . 25.0 110.763 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.11 112.52 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.5 p -70.96 158.08 37.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 25.0 109.733 -177.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -33.84 72.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.514 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -67.14 -37.71 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.415 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -67.36 -42.93 82.66 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 178.384 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.15 85.24 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.689 0.28 . . . . 25.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -40.93 98.86 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.798 178.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -78.97 -32.62 45.39 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.152 0.501 . . . . 25.0 111.793 -178.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -89.35 48.74 1.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 25.0 110.241 -176.233 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.2 m -62.4 -24.49 67.42 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.192 0.996 . . . . 25.0 111.489 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -43.02 99.44 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.636 177.609 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.1 ttp -65.35 -34.26 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.718 -0.614 . . . . 25.0 110.451 177.704 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.14 -38.22 81.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.7 m -67.64 -39.84 84.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.403 177.834 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.1 m -60.47 -49.08 79.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.066 -0.397 . . . . 25.0 110.485 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.04 -37.22 79.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.229 0.538 . . . . 25.0 110.951 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.63 -37.14 85.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 25.0 111.527 177.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -68.35 -39.13 81.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -178.165 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.83 -18.09 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -171.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -53.67 -19.79 4.5 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -84.13 -9.38 58.63 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.26 85.22 1.41 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -176.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -74.41 -11.65 60.3 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.561 1.319 . . . . 25.0 114.561 -176.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.36 -31.27 52.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.92 -0.488 . . . . 25.0 110.979 -176.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.4 t -145.45 120.11 9.82 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.091 0.472 . . . . 25.0 109.829 174.165 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.38 -32.24 71.14 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.509 -178.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.3 -37.68 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.706 0.765 . . . . 25.0 110.805 -178.021 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.63 -46.43 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.7 ptp -69.28 -30.95 69.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.619 -0.832 . . . . 25.0 110.704 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.9 -48.72 70.52 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.2 -0.312 . . . . 25.0 110.622 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.09 -35.18 79.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.791 178.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.2 m -65.34 -41.49 93.85 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.639 178.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 60.6 m -68.38 -38.97 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.408 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.6 ttp -59.07 -48.49 81.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 177.097 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.34 -44.25 92.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.801 0.334 . . . . 25.0 111.353 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.35 -45.05 84.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.747 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 -33.42 69.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.807 0.299 . . . . 25.0 111.807 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.26 97.11 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 178.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 112.578 0.585 . . . . 25.0 112.578 -179.501 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 11.7 ttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.47 -42.38 74.26 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.692 1.197 . . . . 25.0 109.933 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.5 m -66.5 -35.11 79.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.181 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.67 -43.71 71.97 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.94 -40.46 96.5 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.7 179.48 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.554 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.0 tpt85 -68.86 -43.46 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.45 -42.96 94.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -57.01 -45.08 83.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.583 0.353 . . . . 25.0 110.953 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.42 95.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.623 0.249 . . . . 25.0 110.447 178.367 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.82 -43.09 99.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.587 -0.279 . . . . 25.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.85 -43.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.983 -0.448 . . . . 25.0 110.061 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.96 -21.72 66.29 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -101.48 -11.79 19.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.9 p -78.54 -24.14 45.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 19.7 mt -124.56 58.66 1.21 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.765 0.317 . . . . 25.0 111.703 -178.758 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -102.54 159.92 15.02 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 176.467 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.36 -17.32 20.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.223 176.043 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.76 -40.0 34.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.487 0.66 . . . . 25.0 110.343 178.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -155.96 125.5 6.32 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 177.399 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.91 111.23 19.35 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 -179.523 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.91 94.5 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.66 -47.86 72.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.689 -177.825 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -64.26 -37.7 88.43 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 112.751 0.649 . . . . 25.0 112.751 -178.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -60.12 -39.42 86.19 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 122.104 -0.372 . . . . 25.0 110.279 -177.481 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.52 -41.3 93.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.035 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.76 -48.36 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.63 -42.06 99.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 25.0 110.49 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.63 96.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.82 0.343 . . . . 25.0 111.012 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.5 mt -67.54 -38.37 84.08 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 122.111 -0.368 . . . . 25.0 110.539 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -74.63 -28.11 60.74 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.817 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.6 -46.36 90.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 171.254 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.23 -37.55 87.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.395 -0.82 . . . . 25.0 110.708 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.37 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -178.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.7 m -83.88 -19.25 35.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.524 0.515 . . . . 25.0 111.498 -177.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.5 mt -77.4 139.92 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.575 0.702 . . . . 25.0 111.404 178.573 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -82.64 75.18 9.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 174.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.01 109.22 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 68.8 p -71.0 163.53 27.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.298 0.571 . . . . 25.0 111.052 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.2 ptm -57.36 -35.35 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.86 -28.99 63.9 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.811 -0.556 . . . . 25.0 111.457 -179.606 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -74.06 -41.94 60.96 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 178.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.06 89.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.932 -0.395 . . . . 25.0 109.932 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.8 -45.69 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.202 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -72.28 -36.04 68.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.181 0.515 . . . . 25.0 111.873 -177.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -98.74 57.03 1.12 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -27.39 67.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.181 0.991 . . . . 25.0 109.801 -177.158 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.59 -31.65 72.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.624 -1.171 . . . . 25.0 111.383 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.1 ttp -66.04 -34.39 77.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 176.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 19.3 mm -69.66 -38.42 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.9 m -62.86 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.213 -0.292 . . . . 25.0 110.213 175.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.1 m -61.21 -44.93 96.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.275 -0.265 . . . . 25.0 110.927 177.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.47 -37.47 78.28 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.096 0.474 . . . . 25.0 111.253 177.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -61.53 -32.97 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.39 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.72 -43.13 60.04 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -17.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -169.69 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -11.05 8.43 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.628 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -81.07 -11.54 59.48 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 176.6 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -70.42 75.65 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.87 -19.55 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.991 -0.443 . . . . 25.0 111.981 179.006 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.2 OUTLIER -64.57 -18.75 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.67 0.619 . . . . 25.0 112.67 -177.258 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -144.49 119.98 10.35 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.407 -0.96 . . . . 25.0 108.407 171.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.28 -32.27 73.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.493 -0.776 . . . . 25.0 109.147 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.07 -44.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.621 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.34 -46.34 83.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 O-C-N 121.817 -0.552 . . . . 25.0 111.154 -178.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 26.5 ptm -68.06 -32.37 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.715 -0.794 . . . . 25.0 110.657 -178.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.16 -48.1 63.19 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.597 -0.689 . . . . 25.0 111.553 175.285 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -60.82 -43.53 98.1 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.173 -0.33 . . . . 25.0 110.46 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 45.5 p -68.26 -38.44 81.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.693 -0.403 . . . . 25.0 111.646 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -68.6 -39.9 80.69 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 122.117 -0.365 . . . . 25.0 110.154 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -61.1 -46.37 90.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.95 -44.08 90.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.669 0.271 . . . . 25.0 111.234 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.17 -43.5 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.201 -0.312 . . . . 25.0 111.766 -179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.5 -47.08 87.73 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 178.922 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.88 -49.96 75.8 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.172 -0.955 . . . . 25.0 108.915 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 27.1 p -61.22 -29.52 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.144 -0.935 . . . . 25.0 112.867 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -73.12 -44.64 59.95 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.332 -0.855 . . . . 25.0 109.43 179.273 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 54.3 mt -62.0 -37.83 86.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.808 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.84 -41.61 99.4 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.207 -0.308 . . . . 25.0 111.346 174.163 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -65.06 -39.74 93.71 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 118.025 0.375 . . . . 25.0 111.772 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.66 -40.14 85.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.35 -36.58 82.68 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 111.643 177.739 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.97 90.48 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.255 -0.278 . . . . 25.0 110.452 177.193 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.96 -42.02 81.53 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.93 -0.396 . . . . 25.0 109.93 177.094 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.3 -38.99 77.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 25.0 110.855 179.494 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -65.91 -22.66 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.151 -0.968 . . . . 25.0 112.803 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -98.6 -15.24 19.55 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.706 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -84.58 -20.98 30.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -173.235 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.489 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.8 mt -116.94 32.99 5.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.079 0.466 . . . . 25.0 109.761 177.767 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -75.73 151.97 37.54 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.526 -0.734 . . . . 25.0 111.032 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.6 pt -72.02 -25.58 24.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.497 -0.319 . . . . 25.0 111.629 176.174 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.74 -31.63 52.28 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.064 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -161.27 95.63 1.04 Allowed 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -175.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.1 tt -97.01 113.14 24.65 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 112.94 0.719 . . . . 25.0 112.94 -175.188 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -109.39 96.2 6.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.278 -178.58 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.03 -48.0 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.393 -0.821 . . . . 25.0 111.505 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.34 -30.46 64.76 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.768 -1.207 . . . . 25.0 114.039 -174.364 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -63.97 -33.98 76.95 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.578 177.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.8 t -68.12 -40.95 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.475 176.043 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.8 -43.67 97.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.802 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.06 -41.13 82.46 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.406 -0.517 . . . . 25.0 111.661 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.95 88.77 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.754 -0.591 . . . . 25.0 110.798 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 51.2 mt -72.5 -27.89 62.54 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.341 -0.39 . . . . 25.0 110.952 177.72 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -76.11 -43.62 42.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 110.965 -179.044 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.13 -24.27 61.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.09 -40.12 60.28 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 174.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.226 0.536 . . . . 25.0 111.942 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.7 m -81.88 -7.0 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.411 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.2 151.23 21.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.992 0.901 . . . . 25.0 111.512 178.465 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -98.07 130.17 44.88 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.592 -2.003 . . . . 25.0 105.592 171.662 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.59 128.39 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.761 -0.829 . . . . 25.0 108.761 -174.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 30.9 p -82.6 162.84 21.78 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.1 ptp -63.17 -28.98 70.42 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.771 -0.581 . . . . 25.0 111.446 178.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -69.23 -36.55 77.32 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.364 -0.535 . . . . 25.0 111.146 177.381 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.82 -36.13 64.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 178.66 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.07 83.77 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.81 -0.356 . . . . 25.0 110.055 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -64.22 -37.73 88.54 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.473 0.654 . . . . 25.0 111.374 176.14 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -65.68 -30.03 70.66 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.559 -0.713 . . . . 25.0 111.677 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -115.76 41.24 2.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.865 -175.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.4 m -63.98 -24.66 67.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.345 -0.847 . . . . 25.0 109.283 179.197 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.05 -43.31 81.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.491 1.139 . . . . 25.0 110.594 173.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 59.2 ttp -71.36 -35.49 71.16 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.823 -1.08 . . . . 25.0 110.894 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.08 -36.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 67.9 m -65.93 -42.91 89.48 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.086 0.469 . . . . 25.0 109.754 176.537 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.4 m -59.99 -44.51 94.46 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.046 -0.409 . . . . 25.0 110.972 174.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.48 -37.38 75.41 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.031 -0.418 . . . . 25.0 111.908 176.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -58.63 -35.54 72.67 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 178.206 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.49 -43.42 69.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 25.0 109.951 -178.637 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.59 -17.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.82 -173.357 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -57.06 -24.34 53.19 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.532 -0.73 . . . . 25.0 111.777 172.208 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -88.08 -9.03 54.6 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.172 0.805 . . . . 25.0 113.172 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.3 108.07 0.3 Allowed 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 177.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -87.77 -20.17 26.52 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -178.156 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.16 -28.75 33.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -169.538 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.0 m -142.92 126.7 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.371 -0.831 . . . . 25.0 112.54 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -64.58 -38.22 90.27 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 114.463 1.283 . . . . 25.0 114.463 -176.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.85 -36.49 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.376 -0.828 . . . . 25.0 109.564 -176.139 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.8 mt -66.87 -45.94 86.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-N 115.728 -0.669 . . . . 25.0 110.363 179.545 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -66.04 -38.17 87.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.329 0.968 . . . . 25.0 111.256 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -69.14 -47.36 65.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.358 . . . . 25.0 111.968 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.63 -35.38 78.82 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.204 -1.56 . . . . 25.0 111.475 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 87.7 p -68.24 -41.89 80.49 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.51 -0.876 . . . . 25.0 112.53 176.875 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 -27.99 63.59 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 119.614 -0.834 . . . . 25.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.1 ttp -62.57 -51.07 68.81 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.3 -39.37 78.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.393 -179.127 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -60.26 -40.94 92.12 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.076 -0.39 . . . . 25.0 110.735 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.16 -37.53 75.24 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.509 -0.476 . . . . 25.0 110.883 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -62.98 -37.88 88.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.866 0.365 . . . . 25.0 111.175 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.319 -0.742 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -176.356 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -57.31 -43.12 83.01 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 114.587 -1.188 . . . . 25.0 111.242 175.707 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.7 p -61.26 -35.29 76.88 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.224 -0.444 . . . . 25.0 111.713 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.93 -40.47 75.49 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 122.237 -0.29 . . . . 25.0 110.277 178.317 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.82 -41.45 97.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.734 0.302 . . . . 25.0 111.028 179.619 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -68.58 -39.48 80.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.727 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -62.91 -44.6 95.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.771 -179.586 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.97 -44.38 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.817 -0.438 . . . . 25.0 109.817 -177.46 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -70.86 -26.26 63.18 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.067 -1.02 . . . . 25.0 112.771 179.234 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.05 89.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.52 -0.919 . . . . 25.0 108.52 174.714 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -66.5 -39.91 88.94 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.385 177.558 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 90.2 mt -61.18 -41.71 90.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.908 -0.495 . . . . 25.0 109.99 177.028 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.43 -38.37 80.48 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.125 -0.36 . . . . 25.0 110.61 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -85.52 -23.81 27.56 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -175.474 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 84.0 p -73.69 -20.98 60.39 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.049 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 49.5 mt -113.23 28.55 8.7 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -95.67 158.18 15.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.85 -0.613 . . . . 25.0 109.966 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.9 pt -66.74 -11.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 176.546 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -38.9 89.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -173.28 96.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -177.533 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.12 114.89 15.29 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -178.116 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -123.65 96.22 4.88 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.991 0.901 . . . . 25.0 110.478 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.04 -41.58 91.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.233 -178.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.25 -50.75 71.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.753 -178.394 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.86 -36.51 74.72 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -175.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.8 t -63.26 -41.45 99.05 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.871 178.232 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.28 -42.05 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.692 -0.63 . . . . 25.0 109.909 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.79 -45.03 95.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.041 0.448 . . . . 25.0 110.099 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.33 93.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.616 0.722 . . . . 25.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.33 -36.82 85.2 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.786 -0.571 . . . . 25.0 111.047 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -71.19 -36.99 72.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.462 0.649 . . . . 25.0 110.839 -179.172 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.042 -0.411 . . . . 25.0 110.117 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.23 -28.96 62.46 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 121.096 -1.003 . . . . 25.0 110.958 178.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.01 65.1 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 122.11 -0.369 . . . . 25.0 111.001 177.532 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 56.1 m -84.21 -10.0 58.06 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 177.398 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 148.29 22.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 -176.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.63 83.64 7.83 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.941 178.087 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 56.3 t -81.5 114.4 22.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 52.3 p -83.14 166.87 18.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -177.553 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 92.4 mtp -55.77 -42.24 75.2 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.49 -40.54 80.88 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.396 -0.521 . . . . 25.0 111.163 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.33 -38.33 90.72 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.163 -0.336 . . . . 25.0 110.136 178.627 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 120.821 0.343 . . . . 25.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -71.64 -34.41 69.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.0 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -70.49 -25.72 63.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.182 -0.324 . . . . 25.0 110.907 -179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.05 43.66 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -176.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.9 m -66.41 -19.92 65.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.699 1.238 . . . . 25.0 110.539 178.35 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -65.22 -38.37 90.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.425 -0.797 . . . . 25.0 110.477 174.308 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -72.29 -29.18 63.63 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 179.213 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 51.6 mm -69.85 -34.97 62.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.9 m -64.21 -40.16 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.349 0.595 . . . . 25.0 109.532 175.525 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.4 m -63.23 -44.33 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.83 175.136 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -36.42 75.23 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 121.902 0.858 . . . . 25.0 111.078 178.734 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.9 -26.87 65.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.056 -178.004 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.2 -35.49 73.96 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.76 -0.588 . . . . 25.0 111.266 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.43 HG13 ' H ' ' B' ' 403' ' ' ILE . 1.1 mt -62.03 -13.21 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 114.118 1.155 . . . . 25.0 114.118 -177.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -62.56 -13.91 36.38 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.923 -1.111 . . . . 25.0 111.737 178.067 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -89.0 -9.8 50.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.5 89.7 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.386 1.088 . . . . 25.0 110.667 -179.449 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -80.34 -16.44 54.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.003 0.921 . . . . 25.0 113.127 -175.038 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -24.33 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 -175.41 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -143.02 116.91 9.34 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.738 0.78 . . . . 25.0 110.184 176.161 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -69.48 -27.98 65.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.962 -178.417 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -39.14 81.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 -47.11 89.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.164 -0.615 . . . . 25.0 110.808 179.371 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.9 -29.81 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.073 -0.651 . . . . 25.0 110.684 -177.702 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -69.43 -45.94 67.95 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.07 -0.393 . . . . 25.0 110.339 176.507 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -61.05 -38.03 84.74 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.449 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -66.02 -41.82 90.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 25.0 110.701 179.061 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 83.0 m -67.56 -38.53 84.26 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.979 0.419 . . . . 25.0 110.545 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.31 -48.53 81.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 25.0 110.724 176.089 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.43 -39.63 89.05 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.129 -0.357 . . . . 25.0 111.893 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.61 -40.69 97.55 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.962 -0.385 . . . . 25.0 109.962 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.55 -45.66 89.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.054 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.52 -40.08 85.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.493 0.663 . . . . 25.0 110.536 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.506 2.358 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -58.77 -34.86 71.9 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.117 -0.989 . . . . 25.0 111.612 -179.07 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 15.2 m -60.32 -32.77 71.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.11 69.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 176.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.35 -38.84 91.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.947 -177.671 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -62.85 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.341 -0.224 . . . . 25.0 110.847 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -63.31 -40.08 96.35 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.19 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.25 -42.41 84.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -60.75 -38.5 85.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.741 -0.6 . . . . 25.0 110.527 178.266 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.78 97.14 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.642 0.258 . . . . 25.0 110.582 177.462 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.95 -40.02 95.48 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 120.639 0.257 . . . . 25.0 110.532 178.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.91 -35.82 76.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.224 -0.923 . . . . 25.0 110.254 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -71.65 -15.39 62.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.947 -0.47 . . . . 25.0 112.02 177.528 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -101.06 -34.99 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.0 p -76.38 -7.15 54.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 115.412 1.634 . . . . 25.0 115.412 -171.502 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.41 28.04 5.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.275 0.489 . . . . 25.0 111.649 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -69.56 169.29 12.93 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 60.4 mt -72.43 -49.55 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.134 -177.848 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.34 -39.88 81.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -172.798 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -159.68 143.43 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 179.225 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.96 155.52 42.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.525 0.148 . . . . 25.0 111.396 -176.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -129.6 114.19 15.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.09 0.948 . . . . 25.0 111.016 -178.131 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.43 -44.29 98.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.056 -0.974 . . . . 25.0 111.733 -177.085 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.28 -44.21 84.18 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.991 -0.443 . . . . 25.0 110.983 -174.339 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -62.69 -32.37 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.014 -178.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.46 -42.36 83.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.791 -0.568 . . . . 25.0 110.944 175.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.79 -43.86 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.12 -41.99 99.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.949 0.404 . . . . 25.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.43 91.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 25.0 110.007 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 55.1 mt -68.02 -36.19 79.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.129 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.5 -39.65 81.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.978 0.418 . . . . 25.0 111.073 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.39 -40.01 92.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.443 0.639 . . . . 25.0 110.374 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -22.67 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.664 -0.648 . . . . 25.0 111.285 179.712 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.55 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 175.636 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.0 t -80.75 -33.13 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 25.0 111.663 -177.557 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.78 137.14 57.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.237 0.541 . . . . 25.0 112.458 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -77.96 127.13 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 172.295 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.73 132.27 50.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -177.309 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 62.7 p -86.6 162.72 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.099 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -32.91 72.71 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -29.17 60.44 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.818 -0.551 . . . . 25.0 111.939 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.46 -36.88 74.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 173.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.81 91.51 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.06 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.27 -38.14 89.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.8 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -67.01 -24.58 66.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.721 0.296 . . . . 25.0 110.893 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.28 44.18 1.6 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.154 0.582 . . . . 25.0 110.453 178.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 92.7 m -64.94 -25.51 67.91 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.08 -37.78 80.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.836 0.827 . . . . 25.0 111.681 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.9 ttp -70.72 -28.52 64.79 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.645 -0.659 . . . . 25.0 109.719 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.35 -36.95 77.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.2 m -62.46 -43.46 98.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 174.658 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.06 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.735 -0.211 . . . . 25.0 111.276 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.48 -39.09 82.59 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.939 0.4 . . . . 25.0 110.249 178.194 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.198 179.622 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -72.45 -40.82 66.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.92 -0.488 . . . . 25.0 110.888 178.391 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -14.59 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 114.524 1.305 . . . . 25.0 114.524 -172.18 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -63.05 -13.03 30.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.388 -0.82 . . . . 25.0 111.639 174.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -92.04 -5.95 51.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 176.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -76.65 76.01 3.32 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.465 0.65 . . . . 25.0 109.49 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -75.78 -8.33 56.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 -178.082 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.01 -29.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.033 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.4 m -142.19 119.26 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.523 -0.736 . . . . 25.0 110.13 171.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -68.27 -34.36 76.05 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 9.7 p -56.91 -33.17 41.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 122.052 -0.405 . . . . 25.0 111.426 178.463 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.72 -40.93 54.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 121.587 -0.696 . . . . 25.0 110.847 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.8 ptp -68.6 -31.38 70.52 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.07 -1.019 . . . . 25.0 109.57 178.265 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.91 -48.15 64.02 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.075 -0.391 . . . . 25.0 110.936 177.438 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -61.7 -43.37 98.98 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 62.0 p -69.06 -37.95 78.82 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.226 -0.59 . . . . 25.0 112.2 -176.656 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.2 t -73.19 -28.67 62.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.451 -0.781 . . . . 25.0 109.853 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 174.758 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.217 0.532 . . . . 25.0 110.734 178.459 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -61.7 -40.45 95.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -66.17 -38.9 89.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 110.64 178.341 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.42 -45.41 76.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.217 -0.651 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 179.299 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 115.663 1.727 . . . . 25.0 115.663 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.8 -50.08 72.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.547 1.165 . . . . 25.0 108.219 177.573 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -68.03 -25.1 65.21 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.504 177.438 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -66.67 -38.38 86.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.419 1.009 . . . . 25.0 109.132 174.457 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.56 -41.76 92.59 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.313 177.432 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -62.93 -32.59 73.92 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.081 0.467 . . . . 25.0 110.533 178.067 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.84 -46.57 84.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.051 0.929 . . . . 25.0 111.06 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.6 -42.97 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.994 -1.003 . . . . 25.0 108.472 -179.208 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -59.3 -37.68 78.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.55 85.36 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.795 0.331 . . . . 25.0 110.573 177.124 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.11 -23.0 65.78 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.912 -178.536 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.62 -48.09 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -69.1 -41.14 77.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.486 177.416 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.84 -31.79 73.19 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -175.225 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 19.7 m -80.83 -19.24 45.05 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.608 0.363 . . . . 25.0 111.206 -178.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.05 20.81 13.11 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.285 0.365 . . . . 25.0 111.741 -177.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -77.06 148.13 36.31 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.05 -20.82 26.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -175.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.65 -35.57 75.31 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.036 0.835 . . . . 25.0 112.511 -177.568 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -159.38 108.75 1.87 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 179.503 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.6 137.16 32.58 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 123.934 0.771 . . . . 25.0 109.629 -178.123 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -136.7 88.64 2.39 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.958 -1.019 . . . . 25.0 108.839 175.005 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.43 -42.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 114.457 -1.247 . . . . 25.0 109.814 -175.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -70.73 -36.14 73.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.721 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.9 -35.72 81.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.389 -0.819 . . . . 25.0 111.059 176.299 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.4 -40.66 97.22 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.483 -0.487 . . . . 25.0 109.857 174.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.9 -42.46 94.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 119.917 -0.713 . . . . 25.0 109.81 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.55 -36.64 79.07 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.137 -0.625 . . . . 25.0 112.652 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.31 89.74 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 82.6 mt -68.53 -40.34 80.79 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.79 -0.568 . . . . 25.0 110.801 175.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.09 -39.73 94.69 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.737 0.415 . . . . 25.0 110.461 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.78 -50.99 71.41 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.67 0.271 . . . . 25.0 110.563 175.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -29.11 70.15 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.324 0.583 . . . . 25.0 111.587 -177.458 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.36 -30.16 63.12 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 121.455 -0.778 . . . . 25.0 110.62 176.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 69.1 m -81.06 -23.03 38.8 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.37 145.42 49.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.55 0.69 . . . . 25.0 112.349 -178.336 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -108.77 67.14 0.65 Allowed 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.4 162.77 4.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 115.692 -0.686 . . . . 25.0 110.43 178.769 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 45.0 p -72.1 159.07 34.77 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 119.748 -0.781 . . . . 25.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 53.2 mtt -61.29 -37.24 82.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.463 0.649 . . . . 25.0 111.614 179.188 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.62 -35.93 75.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.335 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.35 -46.58 79.65 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.867 177.074 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.91 98.46 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 119.662 -0.815 . . . . 25.0 110.296 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.194 0.521 . . . . 25.0 112.368 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -78.45 -32.81 48.66 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.921 -0.487 . . . . 25.0 112.286 -176.097 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -83.63 50.44 1.8 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 178.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.5 m -64.99 -27.0 68.53 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.646 0.736 . . . . 25.0 110.611 177.729 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.99 -33.14 73.78 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.939 0.876 . . . . 25.0 110.445 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 67.5 ttp -69.02 -33.06 73.02 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 177.2 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.81 -30.31 37.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.355 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.7 m -62.01 -42.24 98.95 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 175.781 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 32.1 m -60.82 -45.23 95.25 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.499 -0.319 . . . . 25.0 110.22 177.381 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.75 -44.32 96.86 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -26.77 68.53 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.73 -36.18 70.4 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.925 -0.484 . . . . 25.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 4.7 mt -57.7 -15.87 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -177.455 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -57.77 -12.68 3.22 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.643 -1.286 . . . . 25.0 113.959 176.409 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -85.72 -8.02 58.43 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 118.616 -0.707 . . . . 25.0 112.617 176.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -63.87 78.74 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.633 0 O-C-N 123.688 0.618 . . . . 25.0 111.79 171.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.47 -7.68 53.79 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.395 -1.441 . . . . 25.0 111.5 -177.853 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.76 -34.69 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.88 -178.718 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 20.3 m -144.92 129.12 17.7 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 115.362 1.615 . . . . 25.0 115.362 177.17 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.66 -20.59 49.91 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.186 -0.915 . . . . 25.0 112.745 177.513 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.19 -42.73 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.879 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.69 -39.33 84.99 Favored 'Isoleucine or valine' 0 C--O 1.25 1.09 0 O-C-N 121.414 -0.804 . . . . 25.0 109.663 176.349 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.86 -39.61 94.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.9 -0.5 . . . . 25.0 111.778 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -42.4 86.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 25.0 111.277 177.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.99 -40.87 97.36 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.986 -0.686 . . . . 25.0 109.169 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 40.8 p -64.03 -28.77 70.02 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.5 -0.75 . . . . 25.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 417' ' ' THR . . . . . 0.582 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 91.8 m -67.58 -38.8 84.56 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.681 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.5 -42.43 98.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.294 -0.262 . . . . 25.0 110.294 175.36 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.37 -37.27 77.51 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.738 -0.601 . . . . 25.0 112.073 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 22.3 m-85 -58.54 -39.94 81.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.357 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -72.84 -46.49 52.74 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.53 -0.271 . . . . 25.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -57.55 -44.71 85.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.317 0.647 . . . . 25.0 112.165 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 115.233 1.568 . . . . 25.0 115.233 -175.214 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 121.982 0.896 . . . . 25.0 112.628 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 88.52 174.92 47.35 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.482 -1.386 . . . . 25.0 111.178 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -116.65 136.45 52.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 45.6 t -152.35 92.37 1.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.053 0.221 . . . . 25.0 111.276 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.62 161.52 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 46.5 m -134.19 93.95 3.16 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.01 133.92 38.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 64.4 p 49.17 -141.32 0.66 Allowed 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 116.857 2.169 . . . . 25.0 116.857 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1397 ' ' PHE . . . . . 0.464 ' HB2' ' CD2' ' B' ' 406' ' ' PHE . 0.4 OUTLIER -120.79 111.76 17.98 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.11 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -67.26 113.55 5.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.827 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 165.18 -27.34 0.19 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -120.81 31.23 6.51 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.064 0.932 . . . . 25.0 110.744 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.76 89.36 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -64.0 -28.41 69.79 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.477 0.656 . . . . 25.0 111.773 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 59.34 -2.64 0.11 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.564 1.481 0 O-C-N 120.115 -1.616 . . . . 25.0 110.362 175.883 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.503 2.191 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -54.11 -57.89 9.38 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.513 0.725 . . . . 25.0 111.693 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.5 m -63.69 -25.15 68.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.69 0.757 . . . . 25.0 112.342 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -72.33 -41.74 66.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.87 -35.67 74.87 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.29 -44.61 84.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.168 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -61.66 -48.52 80.45 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.292 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.92 -44.48 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.722 0.296 . . . . 25.0 110.656 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.34 -38.79 90.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.036 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.68 85.73 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.99 -26.59 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.292 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.38 -50.94 78.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 109.68 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -70.7 -27.06 63.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.6 -0.687 . . . . 25.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -75.18 -40.72 59.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 24.2 m -68.99 -31.39 70.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.1 mt -97.53 23.06 8.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.49 142.51 50.17 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 17.3 pt -68.35 -26.18 33.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 115.887 1.81 . . . . 25.0 115.887 -171.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.99 -39.09 72.64 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -154.99 73.74 0.89 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.96 123.62 21.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 113.159 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -98.54 100.2 11.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.252 1.025 . . . . 25.0 109.86 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.93 -46.76 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.244 -1.344 . . . . 25.0 111.659 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.88 -38.61 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.266 -0.574 . . . . 25.0 112.516 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.0 -37.46 74.32 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.286 0.565 . . . . 25.0 110.167 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.73 -43.64 92.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.595 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.63 -42.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.23 -43.63 95.88 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.819 0.343 . . . . 25.0 111.032 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.26 98.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.276 0.56 . . . . 25.0 110.422 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.16 -38.41 85.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.704 -0.622 . . . . 25.0 110.794 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -74.14 -29.85 62.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.15 -40.86 98.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.39 -39.48 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.85 68.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 22.3 t -81.75 -21.93 37.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.058 0.456 . . . . 25.0 111.085 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.86 144.08 43.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.462 0.648 . . . . 25.0 111.547 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -77.82 60.66 2.31 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.887 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.03 114.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.3 p -77.43 159.21 29.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -63.67 -24.54 67.82 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 111.005 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.55 -33.12 66.59 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 122.049 -0.407 . . . . 25.0 110.314 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.93 -39.35 79.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.54 80.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.03 -36.91 85.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.7 0.286 . . . . 25.0 111.751 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.19 -26.16 55.89 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.075 0.464 . . . . 25.0 111.532 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -119.01 47.78 1.6 Allowed 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.7 m -67.63 -19.69 65.24 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.502 0.668 . . . . 25.0 110.685 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -58.78 -38.47 78.61 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.069 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -66.85 -33.03 74.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.401 0.62 . . . . 25.0 110.083 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 21.0 mm -72.48 -35.04 50.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -65.63 -39.81 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.8 m -63.33 -43.56 97.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.807 -0.558 . . . . 25.0 111.082 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.63 -38.06 77.26 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.525 0.679 . . . . 25.0 110.448 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.54 -33.67 75.39 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.452 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.95 -47.28 69.07 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 111.279 0.103 . . . . 25.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.431 HG13 ' H ' ' B' ' 403' ' ' ILE . 1.0 OUTLIER -58.44 -17.2 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -174.557 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -9.03 7.34 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.184 -0.947 . . . . 25.0 113.242 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -84.63 -13.51 51.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' 1397 ' ' PHE . 3.7 t80 -52.56 109.82 0.44 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 173.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -106.68 -31.12 8.59 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -170.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 31.3 m -71.74 -12.35 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.4 t -148.12 120.06 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -80.65 -17.17 52.07 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.25 -37.0 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.323 -0.861 . . . . 25.0 110.964 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.4 mt -68.84 -43.15 82.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.459 -0.776 . . . . 25.0 109.583 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.3 -28.14 66.01 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 118.912 -1.115 . . . . 25.0 110.583 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -44.98 67.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.552 0.615 . . . . 25.0 110.293 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -65.01 -40.52 95.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.816 0.817 . . . . 25.0 109.188 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -68.27 -41.59 80.83 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.896 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 96.7 m -68.22 -37.64 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.3 ttp -57.31 -54.11 50.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.956 0.408 . . . . 25.0 110.581 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.44 -44.49 91.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 25.0 110.891 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.93 -44.22 91.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.692 0.282 . . . . 25.0 111.538 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -66.79 -36.38 82.26 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 122.367 -0.208 . . . . 25.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -67.59 -46.25 73.15 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.018 0.199 . . . . 25.0 111.161 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.28 -30.29 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -71.85 -20.12 61.86 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.572 -0.705 . . . . 25.0 110.372 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -98.22 75.45 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.528 0.68 . . . . 25.0 109.626 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 83.2 mtp . . . . . 0 C--O 1.211 -0.959 0 CA-C-O 124.421 2.058 . . . . 25.0 114.48 -179.142 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 115.735 1.754 . . . . 25.0 115.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 116.1 142.96 7.68 Favored Glycine 0 C--N 1.342 0.914 0 C-N-CA 125.25 1.405 . . . . 25.0 110.235 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -157.74 159.45 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 25.2 m 50.72 63.92 2.03 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.59 -32.34 68.88 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 122.059 0.933 . . . . 25.0 110.551 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 32.0 p -131.75 135.04 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 103.974 -2.602 . . . . 25.0 103.974 172.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.51 148.09 25.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.968 0.889 . . . . 25.0 111.113 -174.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 87.9 p -139.71 -179.5 5.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.29 97.05 2.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.04 1.11 6.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.181 0.515 . . . . 25.0 110.3 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -153.56 160.67 29.39 Favored Glycine 0 CA--C 1.507 -0.456 0 N-CA-C 107.223 -2.351 . . . . 25.0 107.223 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.34 14.79 30.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.624 0.712 . . . . 25.0 112.855 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.4 157.27 37.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -130.35 120.81 24.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.89 170.11 20.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 105.532 -2.025 . . . . 25.0 105.532 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 124.775 2.226 . . . . 25.0 113.859 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.053 -1.03 . . . . 25.0 110.337 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 59.8 p -69.5 -27.95 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.966 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -48.19 68.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.67 -41.74 92.12 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.304 0.378 . . . . 25.0 110.692 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.96 -37.21 86.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.227 -0.189 . . . . 25.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.55 -43.07 95.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.658 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.76 -42.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.82 -44.07 86.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.015 -0.428 . . . . 25.0 110.213 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.27 90.45 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.702 0.287 . . . . 25.0 110.964 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.94 -39.12 93.02 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.98 -42.95 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.211 -0.662 . . . . 25.0 109.211 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.96 -23.69 63.8 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -98.09 -28.13 13.89 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 72.7 p -70.93 -30.2 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.7 mt -103.47 45.68 0.95 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.954 0.407 . . . . 25.0 111.002 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -98.87 162.42 13.1 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.979 0.419 . . . . 25.0 111.992 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.99 -16.82 17.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.88 -39.96 87.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.452 0.644 . . . . 25.0 111.969 -171.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -177.54 95.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.84 118.62 16.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -171.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -100.18 93.23 5.6 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 122.39 1.091 . . . . 25.0 111.462 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.7 -43.11 86.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.312 -1.313 . . . . 25.0 111.045 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -65.68 -46.19 80.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.747 -0.596 . . . . 25.0 111.616 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -59.76 -33.53 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.02 -43.27 88.1 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.453 -0.499 . . . . 25.0 110.492 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.26 -43.03 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.99 -42.26 93.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.278 0.561 . . . . 25.0 110.783 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.89 92.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.84 -36.27 77.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.188 -0.32 . . . . 25.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.94 -39.55 69.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.922 0.391 . . . . 25.0 110.896 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.51 -42.62 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.229 0.538 . . . . 25.0 110.693 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.33 -31.87 66.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.956 -0.465 . . . . 25.0 111.077 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.06 68.15 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 60.6 p -79.36 -15.91 57.13 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.88 0.371 . . . . 25.0 111.306 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.73 131.19 34.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.04 0.924 . . . . 25.0 111.739 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -101.45 134.9 43.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.83 159.11 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 25.0 110.683 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 73.0 p -82.24 162.83 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 58.4 mtt -64.14 -26.75 68.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.25 -36.31 82.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.941 -0.474 . . . . 25.0 111.293 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 25.0 110.41 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.25 -42.49 68.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.188 -0.32 . . . . 25.0 111.117 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -67.21 -35.97 80.71 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.959 -0.463 . . . . 25.0 111.722 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -119.33 50.31 1.25 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.704 0.764 . . . . 25.0 111.145 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 28.3 m -69.51 -19.3 63.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -58.4 -32.03 68.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.594 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -73.16 -33.22 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.89 -39.08 79.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.645 -1.243 . . . . 25.0 107.645 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 40.9 m -62.96 -41.21 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.291 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -44.38 91.56 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.317 -0.239 . . . . 25.0 111.128 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.91 -38.66 82.96 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.367 0.603 . . . . 25.0 109.895 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -64.86 -35.05 79.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.927 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -65.96 -32.02 73.26 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.605 -0.684 . . . . 25.0 111.804 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.48 -13.58 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -55.27 -13.38 1.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.72 51.06 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.973 -0.454 . . . . 25.0 111.591 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -75.82 71.4 2.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.67 -0.34 42.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.271 0.558 . . . . 25.0 111.148 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.65 -31.43 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.4 t -144.14 120.02 10.61 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.828 0.823 . . . . 25.0 110.43 172.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.48 -25.51 66.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.402 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.53 -45.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 122.044 -0.41 . . . . 25.0 110.177 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.76 -42.78 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.4 ttp -59.18 -42.12 90.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.04 -47.58 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.846 0.355 . . . . 25.0 111.386 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.38 -45.27 91.88 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.543 -0.463 . . . . 25.0 110.683 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.2 p -64.96 -36.69 85.19 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.46 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 80.4 m -67.4 -41.33 85.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.726 0.298 . . . . 25.0 110.377 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -61.69 -47.82 83.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.192 -0.299 . . . . 25.0 110.192 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.72 -39.36 93.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.61 0.243 . . . . 25.0 111.194 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.9 -46.7 87.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.52 -35.34 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.93 -0.481 . . . . 25.0 112.062 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.72 -40.16 91.91 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -108.42 4.61 24.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 6.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -80.73 90.74 5.83 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 64.2 mtm . . . . . 0 CA--C 1.549 0.942 0 CA-C-O 124.321 2.01 . . . . 25.0 113.371 -176.685 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 123.861 1.791 . . . . 25.0 114.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 76.05 28.42 60.5 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 120.329 -1.482 . . . . 25.0 112.934 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.03 117.51 4.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.338 0.589 . . . . 25.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 28.3 t -152.79 -22.27 0.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.615 -0.721 . . . . 25.0 111.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.21 139.3 57.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 26.5 m -125.24 90.16 3.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.791 0.329 . . . . 25.0 110.995 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -128.04 148.64 50.56 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.491 0.662 . . . . 25.0 110.803 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 34.3 t -166.53 154.73 10.24 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.482 -2.044 . . . . 25.0 105.482 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1397 ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' B' ' 406' ' ' PHE . 0.3 OUTLIER -79.0 77.34 5.47 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 173.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 86.4 t80 -84.74 -50.78 7.31 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.862 -0.524 . . . . 25.0 112.029 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -154.35 33.36 0.71 Allowed Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.886 -0.673 . . . . 25.0 114.21 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1400 ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.1 OUTLIER 62.1 10.24 3.59 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.827 1.417 . . . . 25.0 114.827 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 69.25 163.67 0.24 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.891 1.276 . . . . 25.0 113.514 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -148.94 164.92 33.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -81.73 61.47 5.12 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.542 0.942 . . . . 25.0 113.542 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 26.5 t70 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 123.932 1.825 . . . . 25.0 111.691 175.805 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 115.159 1.541 . . . . 25.0 115.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.91 -41.53 98.03 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.622 -1.299 . . . . 25.0 109.551 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.0 m -60.85 -28.08 68.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -45.38 58.28 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.345 -0.983 . . . . 25.0 108.345 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.21 -41.92 97.68 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.749 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.65 -42.65 88.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -45.13 95.35 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.42 -42.54 93.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -64.83 -34.63 78.82 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.618 -0.676 . . . . 25.0 111.368 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.57 96.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.76 -37.77 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 25.0 111.356 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.53 -45.24 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 360' ' ' LYS . . . . . 0.512 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 23.5 mtpt -66.6 -44.28 82.57 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.298 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.99 -37.29 85.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 31.3 m -71.65 -24.62 61.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 13.3 mt -115.21 18.99 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 146.63 24.45 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.079 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -26.22 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 116.183 -0.462 . . . . 25.0 111.618 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.25 -40.04 94.84 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -162.13 59.47 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.116 0.484 . . . . 25.0 110.747 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 134.77 56.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -143.57 114.49 7.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 122.034 0.921 . . . . 25.0 110.262 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.12 -43.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.532 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.96 -36.88 69.99 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.167 -0.333 . . . . 25.0 111.089 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.2 -36.46 75.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.071 0.462 . . . . 25.0 110.207 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.3 t -68.55 -41.63 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.718 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.45 -44.83 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.11 -40.76 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 25.0 110.705 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.7 99.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.216 0.532 . . . . 25.0 110.804 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.94 -37.83 79.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.083 -0.386 . . . . 25.0 110.61 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.6 -30.75 66.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.11 -0.369 . . . . 25.0 111.665 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.21 -35.51 81.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.731 0.777 . . . . 25.0 110.043 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -28.49 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.792 -0.568 . . . . 25.0 109.914 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -80.6 -28.72 37.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 94.4 p -81.58 -24.47 36.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.252 0.549 . . . . 25.0 109.668 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.05 137.84 45.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 174.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -79.42 65.84 4.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.829 0.823 . . . . 25.0 110.124 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.09 114.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.6 p -76.57 165.11 25.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.794 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -61.5 -28.66 69.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.568 -0.287 . . . . 25.0 111.086 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -70.5 -39.65 74.02 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.031 -0.418 . . . . 25.0 109.905 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.11 -33.83 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.992 -0.683 . . . . 25.0 110.003 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.08 93.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.2 -41.53 94.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.545 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.08 -36.0 81.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.106 0.479 . . . . 25.0 110.086 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -109.56 53.88 0.68 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.508 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 53.2 m -65.73 -21.39 66.52 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.297 1.046 . . . . 25.0 108.24 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.82 -32.96 72.31 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.971 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -30.57 69.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.597 -0.689 . . . . 25.0 109.835 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.2 mm -67.68 -35.74 73.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.2 m -63.68 -43.13 97.55 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.346 -0.388 . . . . 25.0 110.057 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 58.3 m -60.38 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.225 -0.287 . . . . 25.0 110.225 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.69 -38.67 78.76 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.193 0.521 . . . . 25.0 111.296 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -62.72 -37.13 85.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.046 -0.525 . . . . 25.0 110.859 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.2 -38.09 78.44 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.02 -20.95 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -64.99 -11.66 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.346 -0.846 . . . . 25.0 112.893 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -88.83 -1.22 57.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.401 ' HA ' ' HB3' ' A' 1397 ' ' PHE . 34.9 t80 -71.0 83.71 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.968 0.889 . . . . 25.0 110.945 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.13 -21.01 66.73 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.059 -0.973 . . . . 25.0 112.457 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.94 -26.57 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.5 t -138.48 120.08 15.09 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -72.32 -26.39 61.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.358 -0.837 . . . . 25.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.08 -40.35 78.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -42.19 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.639 -0.663 . . . . 25.0 110.376 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.0 ptp -69.43 -28.53 66.21 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.326 -0.949 . . . . 25.0 111.753 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -43.37 57.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.668 0.667 . . . . 25.0 110.243 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -62.28 -44.22 97.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.552 0.691 . . . . 25.0 110.873 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.9 p -69.74 -35.49 75.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.827 -0.546 . . . . 25.0 112.022 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.7 t -74.02 -27.2 60.83 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.545 -0.722 . . . . 25.0 110.678 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -63.68 -48.05 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.29 -42.51 99.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.959 0.409 . . . . 25.0 110.984 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -58.09 -42.57 85.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.941 -0.392 . . . . 25.0 109.941 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.406 -0.184 . . . . 25.0 111.446 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.18 -42.49 86.21 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.724 0.41 . . . . 25.0 110.477 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -83.96 -33.27 24.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 115.121 1.526 . . . . 25.0 115.121 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -15.82 59.96 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.501 0.592 . . . . 25.0 111.266 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.62 73.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.661 0.743 . . . . 25.0 109.514 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 C--O 1.209 -1.063 0 CA-C-O 124.025 1.869 . . . . 25.0 113.891 -178.318 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 125.113 2.387 . . . . 25.0 113.289 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 83.36 -174.5 52.19 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 114.207 -1.36 . . . . 25.0 113.015 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -153.87 -48.5 0.09 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.137 0.494 . . . . 25.0 110.788 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 65.2 m -139.87 43.38 1.95 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.528 0.68 . . . . 25.0 109.995 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -85.22 73.65 10.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.081 0.943 . . . . 25.0 112.485 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 5.2 p -75.36 114.47 13.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 64.04 123.17 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.886 1.274 . . . . 25.0 114.022 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 74.9 m -129.89 150.96 50.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.6 t80 -85.16 85.91 7.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -172.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -130.61 123.27 29.11 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 71.0 -2.34 18.64 Favored Glycine 0 C--O 1.215 -1.031 0 N-CA-C 118.022 1.969 . . . . 25.0 118.022 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1400 ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.1 OUTLIER 61.1 35.1 18.82 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.21 0.505 . . . . 25.0 111.554 -175.532 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 88.19 -179.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.716 2.006 . . . . 25.0 109.037 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 59.72 34.17 22.01 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.304 1.049 . . . . 25.0 111.182 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -99.53 118.24 35.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.552 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.503 2.22 0 CA-C-O 124.14 1.924 . . . . 25.0 114.812 178.936 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.38 -32.83 74.36 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.699 -1.251 . . . . 25.0 109.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 m -62.53 -31.48 72.26 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.992 -0.443 . . . . 25.0 111.821 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.34 -39.65 78.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.45 -39.69 85.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.2 -37.49 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.293 -0.255 . . . . 25.0 110.644 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -62.32 -45.34 93.66 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.859 -0.423 . . . . 25.0 109.859 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.89 -41.56 92.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.07 -39.04 91.06 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.171 -0.331 . . . . 25.0 111.24 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.53 91.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.23 -27.83 69.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.4 mm -62.37 -47.85 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 360' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 45.9 mtpt -65.25 -42.12 93.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 25.0 110.224 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.04 -21.78 66.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.8 p -93.03 -19.01 21.99 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.603 1.705 . . . . 25.0 115.603 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.39 30.23 7.21 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.377 0.99 . . . . 25.0 112.771 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -72.41 168.93 17.41 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.1 pt -63.81 -31.92 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.114 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.15 -40.14 96.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -169.28 146.93 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.45 118.56 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.212 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -113.8 87.62 2.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.544 1.164 . . . . 25.0 109.565 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.67 -45.38 90.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.42 -1.264 . . . . 25.0 111.705 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.85 -38.31 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.598 -0.689 . . . . 25.0 111.69 -174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -60.57 -37.91 82.84 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.723 -0.391 . . . . 25.0 110.419 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.52 -39.57 91.97 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.781 -0.368 . . . . 25.0 111.448 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.66 -46.61 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.77 -40.35 97.04 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.997 0.427 . . . . 25.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.03 97.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.772 -0.58 . . . . 25.0 110.848 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.13 -35.12 76.04 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.845 -0.535 . . . . 25.0 109.959 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.35 -40.83 73.82 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.007 0.432 . . . . 25.0 110.528 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.23 -37.24 80.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.999 -0.438 . . . . 25.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.631 -0.258 . . . . 25.0 111.609 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 55.2 m -79.89 -11.39 59.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.46 127.66 42.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.069 0.938 . . . . 25.0 111.32 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.61 127.5 32.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.87 157.35 20.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 69.0 p -84.16 161.62 20.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -26.08 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.132 0.492 . . . . 25.0 109.945 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -70.93 -34.58 71.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.848 -0.532 . . . . 25.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.2 -36.26 81.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.03 93.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.474 -0.49 . . . . 25.0 109.963 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.47 -39.87 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 25.0 110.915 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -67.05 -23.57 65.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.491 -0.756 . . . . 25.0 110.774 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.37 45.03 1.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 122.747 0.419 . . . . 25.0 110.298 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 96.8 m -66.52 -19.84 65.88 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 122.285 1.041 . . . . 25.0 108.936 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.47 -42.26 87.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.365 -0.834 . . . . 25.0 110.839 173.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -69.56 -33.85 73.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.888 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.85 -35.68 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 35.8 m -66.87 -38.74 86.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.89 -43.55 95.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.155 -0.34 . . . . 25.0 110.653 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.04 -38.38 79.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.207 0.527 . . . . 25.0 110.977 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.62 -39.11 90.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.018 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -65.49 -44.14 88.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.401 HG13 ' H ' ' B' ' 403' ' ' ILE . 0.4 OUTLIER -62.92 -13.66 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -172.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -67.14 -12.11 59.1 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.092 -1.005 . . . . 25.0 112.56 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -85.47 -11.97 52.98 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.856 -0.527 . . . . 25.0 111.254 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.53 74.86 1.97 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.586 0.708 . . . . 25.0 111.828 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -73.37 -2.06 20.72 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.0 t -66.11 -33.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 25.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.9 t -138.03 117.79 13.17 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.457 -0.777 . . . . 25.0 109.415 173.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.1 -24.87 64.18 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.925 -0.58 . . . . 25.0 110.126 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.95 -41.93 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 25.0 110.029 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.42 -47.44 72.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.762 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.13 -29.86 68.86 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.512 -0.742 . . . . 25.0 111.063 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.71 -45.63 78.13 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.961 -0.462 . . . . 25.0 110.535 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.35 -37.06 86.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 32.4 m -64.34 -40.6 96.21 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 52.6 m -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.042 -0.355 . . . . 25.0 110.042 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 60.4 ttp -59.67 -50.6 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.406 -0.184 . . . . 25.0 110.96 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.31 -41.03 97.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.038 0.447 . . . . 25.0 109.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.516 -0.311 . . . . 25.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -63.54 -41.39 98.45 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.806 -0.179 . . . . 25.0 110.634 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.92 -19.06 41.54 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.58 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -85.84 81.97 8.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.699 0.762 . . . . 25.0 110.994 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 125.14 2.4 . . . . 25.0 111.479 177.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 123.784 1.755 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -155.63 25.14 0.58 Allowed Glycine 0 C--N 1.345 1.081 0 O-C-N 120.535 -1.353 . . . . 25.0 112.636 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.78 142.79 44.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 70.6 m -163.18 -39.57 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 62.25 163.93 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.598 1.159 . . . . 25.0 113.783 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 24.8 m -159.36 106.65 1.74 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.684 -0.635 . . . . 25.0 112.389 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -107.13 144.31 34.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 23.7 p -150.58 144.08 25.06 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 10.5 t80 -109.64 124.33 51.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 104.717 -2.327 . . . . 25.0 104.717 168.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.88 72.87 8.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.153 0.501 . . . . 25.0 110.237 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 178.25 -165.44 34.81 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.4 -1.48 . . . . 25.0 109.4 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 21.2 m-30 56.94 77.08 0.28 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.865 0.866 . . . . 25.0 111.048 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 69.47 -11.21 0.51 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.833 1.253 . . . . 25.0 114.137 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.53 125.02 24.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 43.07 48.51 5.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 123.785 1.755 . . . . 25.0 114.857 -177.702 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -50.37 -50.64 50.85 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.024 0.929 . . . . 25.0 113.277 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.5 m -59.53 -29.1 67.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -73.14 -47.89 40.12 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.38 -0.971 . . . . 25.0 108.38 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.29 -40.56 94.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.217 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.28 -42.56 99.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.011 -0.276 . . . . 25.0 111.626 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.27 -45.1 93.05 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.892 -0.323 . . . . 25.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.68 -45.25 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.98 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.427 . . . . 25.0 110.926 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -67.51 -27.23 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.406 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.57 -46.01 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.209 0.458 . . . . 25.0 110.873 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -68.84 -38.27 79.7 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.157 -0.617 . . . . 25.0 111.28 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -70.92 -37.16 72.91 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.308 -0.557 . . . . 25.0 111.435 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.6 p -83.21 1.65 39.67 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 123.011 0.524 . . . . 25.0 112.378 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.84 30.94 2.77 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.323 0.582 . . . . 25.0 109.609 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -65.74 148.78 51.2 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 44.1 pt -86.46 -2.74 8.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.076 0.465 . . . . 25.0 110.711 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.35 -39.94 18.5 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.493 -0.776 . . . . 25.0 111.131 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 47.4 t30 178.32 147.87 0.17 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 101.558 -3.497 . . . . 25.0 101.558 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.95 149.12 33.6 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -94.42 99.68 11.83 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.402 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.31 -47.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.024 0.44 . . . . 25.0 111.439 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -64.77 -39.02 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.74 -36.09 81.91 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.964 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 17.3 t -63.68 -43.16 97.51 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.366 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.8 mt -63.82 -46.22 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -64.2 -42.28 96.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.754 0.311 . . . . 25.0 111.641 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.16 98.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.48 0.657 . . . . 25.0 110.315 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.45 -34.6 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.326 -0.397 . . . . 25.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -73.1 -33.53 65.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.052 0.453 . . . . 25.0 111.48 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.3 -40.92 97.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.606 0.717 . . . . 25.0 109.129 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -27.03 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.702 -0.624 . . . . 25.0 111.017 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.27 -34.71 63.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.425 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 50.9 m -79.7 -24.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 25.0 111.562 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.23 131.09 41.56 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.528 0.68 . . . . 25.0 110.269 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.85 70.97 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.614 0.721 . . . . 25.0 109.777 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.9 t -81.3 119.82 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 25.0 109.968 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 11.4 p -73.08 143.38 47.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -65.0 -29.11 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.47 -34.58 72.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 25.0 110.219 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -69.14 -41.18 77.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.62 68.98 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.682 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.47 -36.46 80.5 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 111.757 0.28 . . . . 25.0 111.757 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -75.95 -7.01 53.58 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.919 -0.488 . . . . 25.0 112.076 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -119.04 55.58 0.93 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.1 m -65.07 -24.67 67.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.65 -40.81 80.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.544 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.8 ttp -68.41 -36.55 79.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 109.997 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.29 -39.51 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 63.0 m -66.36 -40.06 89.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.836 -0.62 . . . . 25.0 109.712 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 98.8 m -61.87 -47.22 85.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.927 -0.483 . . . . 25.0 110.816 175.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.03 -37.58 80.19 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.457 0.646 . . . . 25.0 110.282 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.88 -37.07 86.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.016 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -72.05 -43.02 65.59 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.14 -29.83 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.351 0.66 . . . . 25.0 112.057 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -57.92 -8.13 0.92 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.724 1.75 . . . . 25.0 115.724 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -80.72 -13.98 58.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.833 -0.542 . . . . 25.0 111.507 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.69 126.74 25.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -106.95 -31.32 8.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.94 -14.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 116.444 2.016 . . . . 25.0 116.444 -164.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 137.56 23.07 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.083 -1.011 . . . . 25.0 112.342 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -68.91 -40.44 79.09 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.21 -41.37 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 114.012 1.116 . . . . 25.0 114.012 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.23 -45.36 75.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 121.767 -0.583 . . . . 25.0 110.958 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.6 ptp -69.43 -30.8 68.81 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 119.933 -0.707 . . . . 25.0 110.219 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.57 -51.04 55.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.005 -0.434 . . . . 25.0 111.408 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.89 -42.17 99.68 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.687 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 48.2 p -66.54 -35.99 81.58 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.149 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 97.8 m -66.47 -41.58 88.8 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 122.013 -0.429 . . . . 25.0 110.612 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 37.8 ttp -60.5 -49.0 79.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.02 -40.44 94.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.641 0.258 . . . . 25.0 111.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.34 -49.37 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.92 -31.56 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.957 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.03 -40.81 77.41 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.912 0.387 . . . . 25.0 110.315 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -90.42 -27.64 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -69.07 -33.05 72.93 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 122.089 -0.382 . . . . 25.0 110.699 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -82.44 72.39 9.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.475 0.916 . . . . 25.0 113.475 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.343 2.021 . . . . 25.0 113.269 176.827 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 N--CA 1.507 2.385 0 N-CA-C 116.0 1.852 . . . . 25.0 116.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 71.36 24.77 76.54 Favored Glycine 0 C--N 1.34 0.802 0 O-C-N 120.646 -1.284 . . . . 25.0 112.407 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.89 -10.65 58.23 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 66.7 m -116.39 131.54 56.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 175.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -67.37 -28.9 68.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.675 0.75 . . . . 25.0 110.229 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 1.8 t -158.95 150.78 20.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.336 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.15 -3.42 31.77 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.584 -0.28 . . . . 25.0 111.103 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 72.1 p -156.13 171.55 19.97 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.879 1.807 . . . . 25.0 115.879 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 33.9 t80 -79.23 92.99 5.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.39 -1.277 . . . . 25.0 107.633 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.96 -28.86 65.9 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.458 -0.497 . . . . 25.0 109.968 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 156.88 175.63 28.04 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.448 -0.882 . . . . 25.0 114.485 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1400 ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' B' ' 360' ' ' LYS . 45.2 m-85 -83.96 112.53 20.25 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 173.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -80.72 39.47 0.48 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.358 0.663 . . . . 25.0 110.27 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.82 -17.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.04 2.237 . . . . 25.0 117.04 -175.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -53.47 146.07 13.43 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 114.396 1.258 . . . . 25.0 114.396 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 N--CA 1.5 2.037 0 C-N-CA 125.77 1.628 . . . . 25.0 112.059 179.065 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.512 2.63 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -64.93 -39.96 94.3 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 121.098 -1.001 . . . . 25.0 110.099 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.1 p -65.5 -32.58 74.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.844 0.354 . . . . 25.0 111.344 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.53 -44.05 68.34 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.63 -41.83 99.25 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.568 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.86 -42.0 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.646 0.26 . . . . 25.0 111.111 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 25.0 110.785 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.14 -41.99 87.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -61.81 -37.37 84.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.119 0.485 . . . . 25.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.62 91.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.94 -28.35 68.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.644 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.94 -46.59 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 121.715 -0.616 . . . . 25.0 109.414 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 360' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' 1400 ' ' PHE . 49.4 mtpt -68.82 -39.24 80.12 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.374 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.68 -28.72 67.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 62.6 p -84.06 -15.43 47.5 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 20.1 mt -128.0 48.08 2.32 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 118.058 0.39 . . . . 25.0 111.27 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.75 162.67 29.2 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.764 0.711 . . . . 25.0 110.586 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.0 -19.12 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -107.96 -40.24 5.3 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.556 1.317 . . . . 25.0 114.556 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -151.51 116.63 5.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.35 153.29 51.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -171.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -124.13 107.7 11.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.307 1.051 . . . . 25.0 111.198 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.49 -40.48 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 114.265 -1.334 . . . . 25.0 111.406 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -68.02 -44.48 76.41 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 -175.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -61.02 -35.55 77.15 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.269 -0.423 . . . . 25.0 111.526 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.9 t -62.92 -40.55 97.95 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.015 -0.674 . . . . 25.0 110.315 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.92 -45.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.38 -44.21 92.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.81 99.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.276 0.56 . . . . 25.0 110.345 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.2 mt -65.83 -37.49 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.5 -42.16 68.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.098 -1.041 . . . . 25.0 110.047 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.32 -34.2 74.3 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.8 -29.25 69.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.096 -0.377 . . . . 25.0 110.464 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 28.3 t -78.98 -21.21 47.41 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.93 0.395 . . . . 25.0 111.814 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.05 121.1 17.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.778 0.799 . . . . 25.0 110.334 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -80.77 61.55 4.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.846 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.06 147.9 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 70.3 p -75.78 162.88 27.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.942 0.401 . . . . 25.0 110.161 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 76.3 mtm -61.53 -33.26 73.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.356 . . . . 25.0 110.812 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -71.71 -30.45 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.318 -0.239 . . . . 25.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.51 -42.5 71.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.58 82.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.917 0.389 . . . . 25.0 110.42 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -63.27 -46.24 87.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.427 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.35 -35.8 71.27 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -88.12 54.02 2.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.597 0.713 . . . . 25.0 109.177 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -20.35 65.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.081 0.943 . . . . 25.0 111.491 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -60.58 -35.95 77.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.046 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.8 ttm -66.2 -37.53 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.32 -40.25 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.3 m -65.48 -42.25 92.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.795 0.331 . . . . 25.0 110.838 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.0 m -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.553 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.93 -37.26 73.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.286 0.565 . . . . 25.0 111.055 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.65 -38.32 89.81 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.263 -0.426 . . . . 25.0 111.025 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.47 -38.56 77.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.904 -0.498 . . . . 25.0 111.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.92 -20.73 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -59.87 -11.06 4.68 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.96 -11.37 59.58 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 119.386 -0.34 . . . . 25.0 111.872 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.93 72.7 0.41 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.05 -14.19 61.36 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.139 0.976 . . . . 25.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.71 -33.91 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.418 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.3 t -144.31 119.94 10.44 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -66.1 -27.63 68.21 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.98 -35.03 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.851 -0.53 . . . . 25.0 111.491 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.96 -45.14 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.841 -0.537 . . . . 25.0 110.479 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.4 ptm -67.72 -30.06 69.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.354 -0.841 . . . . 25.0 110.262 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -70.31 -47.69 59.99 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.578 -0.701 . . . . 25.0 111.828 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -62.1 -40.88 97.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.928 -0.483 . . . . 25.0 110.519 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.6 p -66.75 -33.86 76.56 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.272 -0.571 . . . . 25.0 110.961 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 46.6 m -66.26 -41.99 89.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.835 -0.54 . . . . 25.0 109.875 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.4 ttp -60.16 -46.95 87.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.495 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.95 -38.85 89.68 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.766 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.79 -47.77 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.53 -34.82 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.868 -0.52 . . . . 25.0 112.401 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -57.32 -46.71 82.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.619 0.368 . . . . 25.0 110.116 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -85.52 -18.6 33.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -68.28 -20.11 64.75 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 175.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -83.48 40.46 0.72 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.219 1.009 . . . . 25.0 110.962 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 125.328 2.49 . . . . 25.0 112.535 -179.19 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 123.112 1.434 . . . . 25.0 114.846 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 117.29 144.28 7.75 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.133 -0.939 . . . . 25.0 110.926 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.03 152.15 44.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.63 -0.508 . . . . 25.0 109.63 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 19.5 m 55.78 21.2 4.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -136.07 158.71 43.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 52.1 p -143.57 139.51 29.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -136.62 107.02 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 25.0 109.645 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 97.3 p -154.55 178.95 9.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.64 -1.245 . . . . 25.0 107.64 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.93 100.92 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.45 4.95 2.92 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.063 -0.517 . . . . 25.0 112.289 -174.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -158.79 174.32 35.81 Favored Glycine 0 CA--C 1.51 -0.27 0 N-CA-C 105.821 -2.912 . . . . 25.0 105.821 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.61 29.87 1.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.798 1.299 . . . . 25.0 113.628 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.69 159.22 34.75 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -123.33 148.03 46.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 25.0 110.409 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.34 139.79 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 104.984 -2.228 . . . . 25.0 104.984 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 124.68 2.181 . . . . 25.0 111.93 -177.205 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 123.327 1.536 . . . . 25.0 114.827 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -62.07 -38.96 90.79 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 120.59 -1.319 . . . . 25.0 111.872 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -30.42 71.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.325 0.584 . . . . 25.0 111.657 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -41.25 73.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.27 -32.85 72.31 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.46 -42.09 98.23 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.295 -0.261 . . . . 25.0 110.295 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -62.4 -42.94 99.81 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.673 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.02 -44.82 88.09 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -61.0 -40.09 92.17 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.06 -0.4 . . . . 25.0 110.753 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.95 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.88 -40.57 96.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.35 -41.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 121.656 -0.652 . . . . 25.0 110.057 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.18 -25.36 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.268 -0.27 . . . . 25.0 111.696 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.37 -36.74 12.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 69.4 p -67.08 -21.62 65.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -172.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 76.1 mt -108.11 29.71 7.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -90.03 154.56 19.72 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.738 0.304 . . . . 25.0 111.475 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -42.53 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 116.461 2.023 . . . . 25.0 116.461 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.58 -39.98 92.24 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -168.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -153.97 68.77 0.77 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.94 119.41 12.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.077 -174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -106.65 93.84 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.147 0.975 . . . . 25.0 110.96 -176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.78 -45.64 79.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.443 -1.253 . . . . 25.0 111.593 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.7 -43.66 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.06 0.457 . . . . 25.0 111.497 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -60.82 -36.81 80.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.04 0.385 . . . . 25.0 112.04 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -66.06 -41.05 91.3 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.099 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.28 -44.96 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.84 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.865 0.364 . . . . 25.0 110.972 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.0 97.91 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.208 0.527 . . . . 25.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.2 mt -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.724 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.23 -35.92 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.093 -0.38 . . . . 25.0 110.806 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.42 -38.61 81.08 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.632 -0.667 . . . . 25.0 109.442 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -34.67 77.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.889 178.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.97 -28.13 60.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.3 t -79.85 -32.54 40.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 53.4 mt -69.51 137.11 52.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.226 0.536 . . . . 25.0 111.259 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.16 134.25 42.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.18 125.24 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.277 -2.12 . . . . 25.0 105.277 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.5 p -80.15 155.65 27.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -63.9 -26.08 68.44 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.121 0.486 . . . . 25.0 110.008 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -64.88 -38.43 90.94 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.906 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.14 -37.15 61.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.857 -0.527 . . . . 25.0 109.611 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.96 73.46 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 121.084 -0.246 . . . . 25.0 110.493 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.58 -39.78 95.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.618 0.247 . . . . 25.0 111.5 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -69.47 -26.43 64.57 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.099 0.476 . . . . 25.0 110.44 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.42 42.92 1.47 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 25.0 109.886 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 81.2 m -67.33 -28.86 68.33 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.16 -36.72 78.2 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.78 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.02 -27.99 66.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.076 0.465 . . . . 25.0 110.017 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 25.3 mm -68.7 -34.6 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.4 m -65.25 -40.62 94.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.4 m -60.96 -45.48 94.55 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 122.123 -0.361 . . . . 25.0 110.464 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.83 -37.88 80.45 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.168 0.508 . . . . 25.0 110.254 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -65.38 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.094 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.63 -36.57 83.22 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.777 0.288 . . . . 25.0 111.777 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.59 -16.32 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 121.257 0.551 . . . . 25.0 111.971 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.488 HH21 HG23 ' B' ' 417' ' ' THR . 99.4 mtt180 -61.94 -10.95 10.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.093 -1.004 . . . . 25.0 113.357 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.03 -13.63 58.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.109 -0.369 . . . . 25.0 110.699 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' B' ' 412' ' ' ILE . 32.0 t80 -76.51 76.61 3.22 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.041 0.924 . . . . 25.0 110.527 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -77.2 -6.74 54.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.928 -0.578 . . . . 25.0 112.505 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.67 -37.86 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.307 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.6 m -138.6 119.99 14.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -68.25 -26.08 65.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.39 -39.08 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 O-C-N 121.982 -0.449 . . . . 25.0 111.057 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' B' ' 406' ' ' PHE . 3.7 mt -65.73 -44.97 93.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.3 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.6 ptp -70.63 -28.19 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.299 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.36 -46.26 70.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.066 0.394 . . . . 25.0 109.985 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.91 -41.52 98.01 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.401 0.62 . . . . 25.0 109.63 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 47.8 m -64.6 -37.87 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.999 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 417' ' ' THR . . . . . 0.488 HG23 HH21 ' B' ' 404' ' ' ARG . 53.4 m -71.61 -36.59 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.172 -0.33 . . . . 25.0 111.112 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 26.8 ttt -57.98 -49.15 77.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.24 -44.19 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.698 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -55.56 -45.16 77.34 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.245 -0.285 . . . . 25.0 110.609 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -72.05 -35.32 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -58.88 -45.36 90.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.69 -15.76 56.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -72.47 -21.49 61.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.206 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -85.73 79.73 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.023 0.916 . . . . 25.0 111.298 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 124.685 2.183 . . . . 25.0 112.207 178.408 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 N--CA 1.511 2.596 0 CA-C-O 122.578 1.18 . . . . 25.0 113.137 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 92.46 164.97 38.46 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 120.939 -1.1 . . . . 25.0 112.405 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -132.93 50.89 2.2 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.868 0.842 . . . . 25.0 109.402 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 4.7 p -97.78 94.21 6.8 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -99.59 22.45 10.83 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.448 1.118 . . . . 25.0 111.301 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 11.5 t -80.62 -11.9 59.58 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 121.086 -1.009 . . . . 25.0 111.324 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -110.76 113.42 25.99 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.275 -1.38 . . . . 25.0 107.275 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 84.0 p -142.76 20.43 1.99 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 114.215 1.191 . . . . 25.0 114.215 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.57 70.47 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -105.33 9.51 33.8 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.752 -1.113 . . . . 25.0 108.856 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -177.53 171.49 44.18 Favored Glycine 0 C--O 1.238 0.366 0 N-CA-C 109.447 -1.461 . . . . 25.0 109.447 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.44 -18.52 13.52 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 117.683 0.742 . . . . 25.0 110.414 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -79.01 146.2 33.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.956 -1.475 . . . . 25.0 110.717 -174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.7 -15.05 40.71 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -94.07 84.08 4.42 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.994 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 43.6 t0 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 123.732 1.73 . . . . 25.0 113.915 174.12 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.508 2.454 0 N-CA-C 115.08 1.511 . . . . 25.0 115.08 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -66.21 -39.03 89.33 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.312 -0.868 . . . . 25.0 110.3 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.3 p -59.65 -29.84 68.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.089 0.471 . . . . 25.0 111.372 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -69.03 -44.47 72.63 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.51 -33.07 68.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.324 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.52 -41.41 98.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.596 -0.52 . . . . 25.0 109.596 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -63.15 -43.63 97.8 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.522 -0.308 . . . . 25.0 110.262 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.66 -48.39 84.91 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.44 -36.76 76.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.15 0.5 . . . . 25.0 110.571 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.67 95.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.52 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.863 -0.523 . . . . 25.0 109.689 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.5 -49.93 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.776 -0.577 . . . . 25.0 109.725 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.16 -24.84 64.12 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -87.38 -30.56 20.67 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.2 p -75.92 -22.76 55.7 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -173.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 41.9 mt -111.79 42.5 1.72 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.896 0.379 . . . . 25.0 110.55 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -86.64 160.04 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.993 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 365' ' ' ILE . 0.8 OUTLIER -60.19 -46.09 95.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 114.952 -1.022 . . . . 25.0 112.637 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.77 -36.91 81.34 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -152.58 103.01 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 111.337 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.69 115.17 22.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.371 0.605 . . . . 25.0 110.369 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -113.38 91.93 3.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.563 1.173 . . . . 25.0 110.317 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 81.3 t -59.21 -38.79 76.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.121 -1.4 . . . . 25.0 111.052 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -64.48 -46.82 81.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.71 -38.91 86.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 120.966 -0.293 . . . . 25.0 110.941 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.6 -41.36 92.87 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.825 -0.75 . . . . 25.0 110.047 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.58 -45.68 88.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.7 -0.482 . . . . 25.0 109.7 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -60.08 -43.11 95.74 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.924 0.392 . . . . 25.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.77 -37.41 78.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.383 0.611 . . . . 25.0 110.618 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.67 -30.43 52.04 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.89 -0.506 . . . . 25.0 110.582 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.14 -42.76 59.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.099 -0.376 . . . . 25.0 111.76 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.09 -33.22 74.13 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.71 -40.67 92.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.71 74.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.561 0.344 . . . . 25.0 110.986 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.2 m -83.62 -19.37 35.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.96 148.74 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.716 0.769 . . . . 25.0 110.309 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -78.78 58.03 2.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.998 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.93 141.89 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 46.7 p -109.44 167.13 10.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 121.401 -0.812 . . . . 25.0 111.462 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -58.3 -36.02 72.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.558 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -73.91 -32.24 63.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.678 -0.638 . . . . 25.0 110.882 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -66.12 -39.28 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.52 87.92 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.282 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.76 -39.96 86.58 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.18 -0.325 . . . . 25.0 111.29 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -74.43 -16.18 60.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -119.66 51.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.067 0.461 . . . . 25.0 110.366 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m -65.21 -29.67 70.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.908 0.861 . . . . 25.0 109.987 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.9 -40.87 94.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.983 -1.008 . . . . 25.0 111.263 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.5 ttp -65.61 -30.65 71.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.214 0.53 . . . . 25.0 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.42 -34.94 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 11.1 m -65.24 -39.65 92.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.231 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 61.0 m -62.3 -42.68 99.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.4 0.28 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.03 -38.68 86.98 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.957 -0.464 . . . . 25.0 110.028 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.23 -36.31 83.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.517 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -60.55 -37.78 82.35 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.073 -0.392 . . . . 25.0 111.471 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.52 -13.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -63.47 -10.55 18.07 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.2 -1.562 . . . . 25.0 112.532 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.61 -10.81 50.37 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.979 0.362 . . . . 25.0 111.979 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' B' ' 412' ' ' ILE . 41.2 t80 -80.25 93.04 5.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 177.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -97.19 -8.03 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.35 -43.27 70.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.346 1.029 . . . . 25.0 111.383 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 27.0 t -143.53 120.19 11.14 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.92 -24.83 63.44 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.96 -35.78 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.931 -0.48 . . . . 25.0 112.226 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' B' ' 406' ' ' PHE . 19.0 mt -71.6 -43.35 71.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.421 -0.799 . . . . 25.0 110.736 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -67.19 -29.68 69.42 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.398 -0.521 . . . . 25.0 110.562 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -46.25 64.65 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.181 -0.324 . . . . 25.0 110.384 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.59 -37.86 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.508 0.67 . . . . 25.0 110.881 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 39.0 p -75.81 -32.75 59.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.7 t -74.35 -28.43 61.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.368 0.985 . . . . 25.0 109.676 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.1 ttp -61.75 -47.9 83.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.59 -38.62 74.05 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.508 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.09 -39.0 84.59 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.67 -0.644 . . . . 25.0 109.533 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.73 -37.66 82.51 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.756 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -60.5 -39.94 89.58 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 122.881 0.473 . . . . 25.0 111.063 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.29 9.67 42.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -62.82 -35.32 79.52 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -108.97 40.64 1.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 25.0 110.419 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 125.191 2.424 . . . . 25.0 111.314 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 116.062 1.875 . . . . 25.0 116.062 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -101.85 32.15 7.85 Favored Glycine 0 C--N 1.355 1.635 0 O-C-N 119.71 -1.869 . . . . 25.0 113.094 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -77.42 71.27 3.9 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.221 0.822 . . . . 25.0 113.221 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 11.6 m 69.97 15.02 7.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.489 1.515 . . . . 25.0 114.053 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.14 73.62 2.94 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.112 0.482 . . . . 25.0 111.784 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 24.8 m -147.24 118.97 8.03 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -140.04 97.47 3.25 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 53.4 p -162.56 163.84 27.11 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.991 -0.443 . . . . 25.0 111.934 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1397 ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 1.9 t80 -95.16 104.98 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 164.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.94 137.12 58.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.111 -0.949 . . . . 25.0 110.597 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 85.96 10.36 75.57 Favored Glycine 0 C--O 1.246 0.864 0 N-CA-C 112.184 -0.367 . . . . 25.0 112.184 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.37 -34.46 3.28 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.464 0.306 . . . . 25.0 110.911 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -146.01 -53.22 0.26 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 107.259 -1.385 . . . . 25.0 107.259 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -82.76 142.49 31.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -98.34 144.97 27.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 44.9 p-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 123.277 1.513 . . . . 25.0 113.293 178.09 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 123.09 1.424 . . . . 25.0 114.446 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.88 -37.21 76.06 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.557 1.143 . . . . 25.0 110.695 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -37.71 86.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.934 0.397 . . . . 25.0 111.162 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -74.24 -37.16 63.86 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.95 -39.16 93.52 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.878 0.37 . . . . 25.0 111.286 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -66.42 -38.17 86.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -64.12 -42.84 96.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.69 -0.404 . . . . 25.0 110.685 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.65 -41.35 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -60.81 -41.6 96.0 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.018 0.372 . . . . 25.0 110.614 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.92 85.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 25.0 110.544 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.91 -42.87 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.67 -46.68 78.21 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.875 -0.516 . . . . 25.0 109.849 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -59.12 -34.54 72.16 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.0 m -82.11 -16.64 49.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.548 1.314 . . . . 25.0 114.548 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.55 22.94 10.49 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.153 0.978 . . . . 25.0 110.194 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 151.73 33.8 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 113.969 -1.469 . . . . 25.0 111.833 -176.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.4 pt -72.86 -7.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.794 0.684 . . . . 25.0 111.716 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -81.67 -23.57 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.695 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.0 t30 171.68 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.133 1.373 . . . . 25.0 108.114 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 127.15 34.17 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.475 -0.765 . . . . 25.0 112.56 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -121.7 87.36 2.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.709 1.243 . . . . 25.0 110.931 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.28 -41.93 85.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-N 114.099 -1.409 . . . . 25.0 110.945 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -65.54 -41.21 93.31 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.021 -0.424 . . . . 25.0 110.789 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -64.77 -37.18 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.496 0.188 . . . . 25.0 111.497 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.17 -40.02 96.32 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.257 -0.577 . . . . 25.0 109.93 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.51 -43.3 90.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.41 -37.8 88.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.725 0.239 . . . . 25.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.84 94.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.437 0.637 . . . . 25.0 110.86 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.95 -37.76 79.04 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.58 -34.73 76.32 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.724 -0.61 . . . . 25.0 111.04 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -61.05 -45.5 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -37.51 87.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.686 0.755 . . . . 25.0 110.252 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.7 -28.71 67.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.01 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 37.5 m -83.65 -15.09 50.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.42 138.61 31.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.555 0.693 . . . . 25.0 112.077 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -83.77 76.61 9.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 50.8 t -74.8 120.78 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.2 p -68.83 155.7 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.63 -30.38 69.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.787 -0.57 . . . . 25.0 111.161 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.87 -43.57 83.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.226 0.536 . . . . 25.0 109.767 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.78 -37.38 76.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.13 98.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.78 -40.0 94.53 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.683 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.2 -32.44 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.714 -0.616 . . . . 25.0 110.856 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -101.75 43.53 1.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m -65.83 -24.66 66.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.61 -42.58 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.416 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 62.5 ttp -68.11 -28.62 67.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.885 0.85 . . . . 25.0 110.172 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 26.8 mm -69.6 -31.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.7 m -69.98 -37.5 75.76 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.855 -0.528 . . . . 25.0 109.762 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.45 -42.88 99.78 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 122.152 -0.343 . . . . 25.0 110.35 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.38 -37.2 80.02 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.622 0.725 . . . . 25.0 110.451 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -66.36 -34.93 79.07 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.873 -0.517 . . . . 25.0 110.904 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -68.06 -54.28 19.44 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.418 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 0.0 OUTLIER -56.49 -17.45 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -174.222 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -64.11 -8.22 11.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -96.97 -12.89 22.77 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.28 90.24 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.245 0.545 . . . . 25.0 110.118 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -76.24 -5.73 48.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.77 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 t -76.28 -31.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.043 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.2 m -139.14 119.15 13.4 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.091 0.948 . . . . 25.0 111.865 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -73.79 -25.34 60.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.53 -38.88 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.483 -0.761 . . . . 25.0 110.087 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.71 -43.7 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.301 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ptm -65.57 -35.92 82.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.604 -0.685 . . . . 25.0 111.35 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.65 -48.63 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.793 -0.567 . . . . 25.0 111.9 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.19 -33.21 74.01 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.134 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 42.5 p -70.78 -33.49 70.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.3 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -67.79 -42.95 80.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 64.6 ttp -58.79 -47.41 84.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.715 0.293 . . . . 25.0 110.61 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.87 -38.45 86.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.744 0.276 . . . . 25.0 111.744 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.61 -39.94 93.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -71.38 -35.27 71.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.475 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.67 -42.58 93.19 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -80.16 -1.72 41.58 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 114.676 1.362 . . . . 25.0 114.676 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.68 -29.14 62.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -110.1 69.66 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 25.0 109.193 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 74.8 mtp . . . . . 0 C--O 1.2 -1.537 0 CA-C-O 124.694 2.188 . . . . 25.0 112.738 -178.146 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 124.036 1.874 . . . . 25.0 114.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -172.08 167.49 40.48 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.85 42.75 20.69 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 124.391 0.701 . . . . 25.0 112.301 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 53.4 m -129.57 134.33 47.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -129.27 144.87 51.39 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 59.8 p -140.81 151.91 44.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -82.24 151.03 27.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 57.8 p -139.37 -109.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.142 -0.349 . . . . 25.0 110.544 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.46 75.2 10.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.794 -1.928 . . . . 25.0 105.794 173.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -88.85 -9.57 51.19 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -168.09 166.58 39.56 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.594 -1.402 . . . . 25.0 109.594 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -13.25 59.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 117.359 0.579 . . . . 25.0 111.966 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -136.7 151.37 49.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 104.171 -2.529 . . . . 25.0 104.171 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -124.21 34.19 5.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 60.33 18.81 8.39 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.399 -1.273 . . . . 25.0 114.075 -177.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 125.329 2.49 . . . . 25.0 111.586 172.571 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 N--CA 1.507 2.421 0 N-CA-C 116.205 1.928 . . . . 25.0 116.205 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -62.77 -38.03 89.01 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.629 -1.294 . . . . 25.0 110.042 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 62.8 p -68.09 -26.13 65.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.904 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.92 -37.35 67.25 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.498 -0.481 . . . . 25.0 109.945 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.97 -36.94 85.6 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.143 0.497 . . . . 25.0 110.844 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -66.29 -42.83 87.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 25.0 111.207 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.54 -38.89 79.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -57.24 -42.13 80.87 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.957 -0.464 . . . . 25.0 110.321 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.86 98.6 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.737 -0.602 . . . . 25.0 110.224 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.54 -31.33 72.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 111.576 0.213 . . . . 25.0 111.576 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.3 mm -58.68 -45.48 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -68.52 -35.59 77.67 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.254 -0.43 . . . . 25.0 111.855 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.99 -32.8 67.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.224 -0.443 . . . . 25.0 111.856 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 82.8 p -72.61 -23.85 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.0 54.55 1.08 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 122.006 0.908 . . . . 25.0 109.427 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.8 163.99 23.99 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.466 -0.788 . . . . 25.0 110.148 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -30.43 8.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -77.72 -33.48 53.05 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.803 0.811 . . . . 25.0 111.599 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -166.6 148.2 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.513 -2.773 . . . . 25.0 103.513 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.95 153.15 40.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 118.433 0.56 . . . . 25.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -125.87 113.36 17.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.043 0.925 . . . . 25.0 111.014 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.33 -46.27 96.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.496 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.28 -40.57 90.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.218 -0.29 . . . . 25.0 110.218 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.96 -41.07 77.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.085 0.469 . . . . 25.0 110.552 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.33 -43.62 81.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.54 -40.18 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -44.64 88.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.836 0.454 . . . . 25.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.29 99.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.054 0.454 . . . . 25.0 110.803 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.96 -33.42 75.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.248 -0.283 . . . . 25.0 110.376 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.2 -41.97 69.6 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.172 0.51 . . . . 25.0 111.885 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -63.12 -40.16 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.551 . . . . 25.0 110.38 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -35.63 81.36 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.826 -0.546 . . . . 25.0 111.094 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.68 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 51.0 m -82.38 -14.89 54.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.76 152.07 27.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.779 0.799 . . . . 25.0 112.302 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -78.2 57.29 1.82 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.852 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 25.8 t -79.0 104.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.345 0.593 . . . . 25.0 109.849 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.6 p -78.11 163.93 25.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -61.29 -31.72 71.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -72.53 -32.23 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.487 -0.758 . . . . 25.0 110.883 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -70.69 -36.54 73.34 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.57 87.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.62 -37.09 84.95 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.947 0.403 . . . . 25.0 111.437 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.66 -16.76 61.21 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.836 -0.54 . . . . 25.0 111.586 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -113.71 44.74 1.56 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.281 0.632 . . . . 25.0 110.182 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.9 m -64.34 -23.93 67.47 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.798 0.808 . . . . 25.0 109.948 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.68 -47.38 84.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.166 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.8 ttp -66.4 -35.25 79.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.556 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.0 mm -65.59 -37.56 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.7 m -66.32 -37.23 84.9 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.1 m -64.49 -43.72 93.25 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.012 -0.43 . . . . 25.0 110.934 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.41 -37.19 82.57 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.518 0.675 . . . . 25.0 109.885 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.9 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 25.0 111.736 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.38 -36.0 82.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.697 -0.627 . . . . 25.0 111.415 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 7.7 mt -61.93 -13.01 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -59.26 -12.28 5.27 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -13.85 39.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.178 -0.326 . . . . 25.0 111.059 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -78.98 101.4 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -106.6 -2.53 21.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.16 -38.15 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 -172.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 6.4 m -127.61 120.09 27.37 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.637 -0.665 . . . . 25.0 109.867 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.86 -35.99 79.91 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.19 -36.23 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 121.673 -0.642 . . . . 25.0 111.418 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.32 -48.52 80.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 O-C-N 121.566 -0.709 . . . . 25.0 109.183 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.6 ptm -70.38 -31.69 69.05 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.639 -0.824 . . . . 25.0 112.23 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.74 -40.74 69.17 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.205 0.912 . . . . 25.0 111.352 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.76 -35.01 74.57 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.702 -0.624 . . . . 25.0 110.2 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.2 m -64.77 -41.25 96.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -66.77 -40.41 88.19 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -48.0 83.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.123 0.169 . . . . 25.0 110.802 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.58 -43.89 88.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.598 0.237 . . . . 25.0 110.934 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -60.18 -39.67 87.32 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.634 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -67.16 -46.41 74.11 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 122.071 -0.393 . . . . 25.0 110.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -34.19 64.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.723 0.409 . . . . 25.0 111.216 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -102.1 9.19 40.45 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -80.12 27.46 0.32 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 34.4 t30 62.07 100.43 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.632 1.173 . . . . 25.0 113.697 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 124.572 2.13 . . . . 25.0 112.985 179.127 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 124.916 2.293 . . . . 25.0 112.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -118.06 43.18 1.66 Allowed Glycine 0 C--N 1.34 0.785 0 O-C-N 120.637 -1.289 . . . . 25.0 111.532 -177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.51 107.85 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.381 0.61 . . . . 25.0 111.769 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 60.2 p -161.6 161.3 29.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.08 150.61 39.76 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 2.4 m 12.83 81.96 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 118.616 2.821 . . . . 25.0 118.616 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 33.21 84.06 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 170.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.61 -39.38 3.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.256 2.687 . . . . 25.0 118.256 -172.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 12.8 t80 -154.57 65.66 0.68 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.309 0.959 . . . . 25.0 112.912 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -115.67 9.8 15.33 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.972 0.415 . . . . 25.0 110.744 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -137.38 98.01 0.26 Allowed Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.325 -0.464 . . . . 25.0 113.095 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -30.02 61.75 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.96 -0.729 . . . . 25.0 111.755 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -127.7 -48.52 1.39 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.837 -0.62 . . . . 25.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -135.08 164.82 26.78 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.81 174.46 13.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 124.423 2.058 . . . . 25.0 114.792 179.064 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.502 2.146 0 CA-C-O 122.655 1.217 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -30.89 71.93 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.287 -1.508 . . . . 25.0 110.188 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.7 m -59.84 -29.23 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.611 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -72.48 -49.84 30.27 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.27 -40.9 83.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -60.08 -47.15 87.09 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.683 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.38 -44.52 87.32 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.92 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.3 -46.95 95.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.82 -36.17 82.32 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.233 -0.292 . . . . 25.0 111.468 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.36 91.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.08 -37.76 86.25 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.449 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.57 -52.74 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -65.41 -37.14 86.04 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 120.716 -0.394 . . . . 25.0 110.922 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.92 -28.07 60.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.2 m -68.34 -30.84 69.89 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.298 1.222 . . . . 25.0 114.298 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 36.3 mt -116.86 45.57 1.82 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.746 0.784 . . . . 25.0 109.485 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -99.25 156.98 16.7 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.852 . . . . 25.0 109.849 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -24.07 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.487 0.66 . . . . 25.0 111.731 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.19 -40.0 78.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -164.12 81.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.75 127.82 32.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -134.55 104.94 6.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.227 1.013 . . . . 25.0 109.694 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.97 -33.39 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 115.127 -0.942 . . . . 25.0 111.427 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.17 -37.89 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -62.04 -36.78 82.62 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.846 -0.342 . . . . 25.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 26.2 t -63.97 -38.01 89.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.711 -0.396 . . . . 25.0 110.387 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.43 -44.78 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 122.032 -0.417 . . . . 25.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.66 -42.11 95.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.928 0.394 . . . . 25.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.06 84.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.464 0.649 . . . . 25.0 110.51 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.42 -34.58 74.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.112 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -40.44 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.941 0.4 . . . . 25.0 111.165 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -62.26 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.638 0.733 . . . . 25.0 110.089 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.54 -26.67 64.61 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 120.964 -1.085 . . . . 25.0 111.572 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.3 69.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.007 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 90.5 p -89.01 -23.44 22.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.64 143.88 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.17 0.804 . . . . 25.0 113.17 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.18 58.54 2.06 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.013 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.66 126.69 38.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 35.1 p -81.09 159.64 24.68 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.05 0.452 . . . . 25.0 109.855 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.5 ptm -64.27 -27.37 69.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.537 -0.727 . . . . 25.0 111.853 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.92 -30.04 58.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 25.0 110.891 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.02 -43.59 74.47 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.03 77.66 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.956 0.408 . . . . 25.0 111.045 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.33 -39.35 90.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.251 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.21 -35.91 30.73 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.875 -0.516 . . . . 25.0 110.819 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -84.92 37.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.459 -0.2 . . . . 25.0 110.459 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 98.7 m -71.39 -23.02 61.8 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.32 -33.57 75.81 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.562 -0.711 . . . . 25.0 111.481 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -67.89 -29.27 68.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.5 -26.06 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.913 -0.492 . . . . 25.0 109.679 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.6 m -65.26 -42.38 93.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.507 -0.746 . . . . 25.0 109.188 173.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 45.1 m -65.25 -41.35 94.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.51 -0.313 . . . . 25.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.78 -46.76 86.52 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -57.86 -31.98 67.21 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -58.14 -38.54 76.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 25.0 110.064 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.411 ' H ' HG13 ' B' ' 403' ' ' ILE . 4.8 mt -65.73 -13.77 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -62.63 -12.38 22.85 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.372 -1.455 . . . . 25.0 112.471 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -83.02 -19.13 37.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.17 0.588 . . . . 25.0 111.083 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -73.87 110.05 7.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -100.16 -2.85 33.02 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -2.49 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -169.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.1 t -147.79 122.58 9.93 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.465 -0.772 . . . . 25.0 111.222 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -68.29 -31.45 70.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.69 -41.81 93.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.27 -43.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.265 -0.574 . . . . 25.0 110.844 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 ptp -69.94 -32.76 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.499 -0.88 . . . . 25.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.76 -47.53 68.98 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.893 -0.505 . . . . 25.0 111.006 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.15 -44.36 95.73 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.118 -0.364 . . . . 25.0 110.707 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.9 p -66.14 -30.32 70.79 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.34 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 88.5 m -65.28 -39.11 92.15 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.146 0.43 . . . . 25.0 111.059 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -60.37 -46.72 88.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.32 -38.24 84.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.1 -45.15 79.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.88 -42.82 69.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.723 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.25 -37.49 83.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.849 0.356 . . . . 25.0 111.491 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -109.54 20.97 17.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -173.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -66.95 5.78 0.61 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 116.657 2.095 . . . . 25.0 116.657 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 60.8 t30 53.64 67.51 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 122.419 1.104 . . . . 25.0 111.558 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 126.346 1.858 . . . . 25.0 115.593 -177.44 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 N--CA 1.511 2.62 0 CA-C-O 122.494 1.14 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 80.47 19.3 69.05 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.356 -1.465 . . . . 25.0 115.396 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.69 128.84 38.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.926 -1.139 . . . . 25.0 107.926 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 33.3 t -168.34 37.38 0.03 OUTLIER 'General case' 0 C--O 1.241 0.652 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -175.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -102.09 145.9 28.69 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 121.837 -0.54 . . . . 25.0 111.199 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 40.8 p -85.6 -25.3 26.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.771 -0.58 . . . . 25.0 112.545 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -157.92 133.79 9.21 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 74.6 m -134.38 154.72 51.21 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.92 0.39 . . . . 25.0 110.47 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.9 t80 -105.06 101.76 11.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.8 6.17 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.8 0.809 . . . . 25.0 109.396 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -160.78 159.64 31.18 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 108.07 -2.012 . . . . 25.0 108.07 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.86 -26.22 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -135.38 34.08 3.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 148.93 48.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.914 -1.494 . . . . 25.0 112.225 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -70.02 155.33 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.546 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 123.939 1.828 . . . . 25.0 111.762 176.43 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.796 1.76 . . . . 25.0 114.933 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.88 -32.71 74.54 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 120.735 -1.228 . . . . 25.0 109.658 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 34.0 p -59.95 -36.42 77.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -72.93 -40.19 65.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.208 -0.597 . . . . 25.0 109.831 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.73 -39.75 95.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.94 -41.79 96.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.215 -0.303 . . . . 25.0 110.715 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -61.53 -44.69 96.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.088 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.5 -47.39 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.106 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.54 -36.53 84.51 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.973 -0.454 . . . . 25.0 111.702 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.58 87.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -64.43 -41.4 96.61 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.64 -40.24 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.94 -0.475 . . . . 25.0 110.394 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -59.89 -29.2 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -97.0 -33.07 11.69 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 80.3 p -67.59 -16.29 64.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 68.1 mt -115.47 24.87 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 364' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 366' ' ' ASP . 1.4 ptmt -116.96 161.18 19.78 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 118.129 0.422 . . . . 25.0 110.076 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.8 pt -66.69 -6.07 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 117.514 2.413 . . . . 25.0 117.514 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 364' ' ' LYS . 4.6 m-20 -61.41 -39.92 92.5 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.298 0.57 . . . . 25.0 110.021 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -175.74 74.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 105.974 -1.862 . . . . 25.0 105.974 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.68 123.67 19.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.639 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -126.44 100.45 6.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.517 1.151 . . . . 25.0 111.034 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.0 -40.16 79.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 114.232 -1.349 . . . . 25.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -70.75 -42.01 71.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -66.41 -27.51 67.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.818 -0.753 . . . . 25.0 111.043 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.3 t -67.59 -42.41 82.51 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.865 173.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.41 -40.46 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.33 -45.33 84.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.876 0.369 . . . . 25.0 110.91 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.07 94.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.527 . . . . 25.0 111.106 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.7 -29.95 69.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 25.0 110.647 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.38 -39.45 62.71 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.203 0.525 . . . . 25.0 111.212 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -35.53 80.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.229 0.538 . . . . 25.0 110.188 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.74 -36.46 73.15 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.32 -32.46 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 61.0 m -79.49 -17.45 54.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.031 0.443 . . . . 25.0 111.241 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.38 135.29 36.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.478 0.656 . . . . 25.0 109.693 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -79.67 69.58 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.421 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.86 117.43 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 65.9 p -79.38 163.33 24.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.721 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 21.8 ptp -63.99 -27.05 68.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.741 -0.599 . . . . 25.0 111.252 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -68.19 -38.72 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 25.0 109.856 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.48 -35.62 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.47 87.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.313 0.578 . . . . 25.0 110.444 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.75 -38.26 90.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 25.0 111.171 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -78.0 -25.25 47.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -121.18 44.97 2.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.308 0.575 . . . . 25.0 110.642 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 45.6 m -64.22 -14.25 54.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.631 0.729 . . . . 25.0 110.646 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -29.47 63.93 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 172.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.85 -27.92 66.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.208 -0.933 . . . . 25.0 110.098 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 34.5 mm -68.77 -38.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.3 m -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -64.75 -47.26 78.88 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.762 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.72 -35.76 77.17 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.896 0.379 . . . . 25.0 110.891 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.79 -37.86 88.94 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.244 -0.285 . . . . 25.0 111.336 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -69.05 -41.27 77.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.323 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.02 -18.21 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -56.84 -13.96 3.04 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -85.9 -6.3 59.09 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.12 76.29 1.76 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.912 0.863 . . . . 25.0 112.049 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.65 -23.65 66.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.877 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -19.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -176.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 47.1 t -144.53 119.86 10.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 O-C-N 121.264 -0.897 . . . . 25.0 112.631 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -74.85 -23.84 58.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.449 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.37 -42.9 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.12 -43.2 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.2 ttm -58.7 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.722 0.268 . . . . 25.0 111.722 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.23 -45.0 78.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.03 -43.01 99.89 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.701 -0.8 . . . . 25.0 110.97 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 p -67.45 -36.33 80.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.862 -0.524 . . . . 25.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.8 m -68.37 -41.87 79.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 25.0 110.96 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.3 ttp -62.06 -45.99 91.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.12 -36.81 80.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.631 0.253 . . . . 25.0 111.16 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.24 -45.63 90.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -70.35 -31.5 68.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.3 -31.45 71.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.959 0.503 . . . . 25.0 110.859 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -118.63 14.04 13.47 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.874 1.065 . . . . 25.0 113.874 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -8.69 15.51 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.09 -12.19 59.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.918 0.39 . . . . 25.0 110.663 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 125.439 2.543 . . . . 25.0 112.418 -179.76 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 N--CA 1.507 2.382 0 CA-C-O 125.383 2.516 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 89.97 -42.67 2.95 Favored Glycine 0 C--N 1.347 1.162 0 O-C-N 119.78 -1.825 . . . . 25.0 110.523 -173.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -71.93 13.92 0.25 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.148 0.979 . . . . 25.0 113.386 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -8.61 58.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.29 137.33 32.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.548 0.689 . . . . 25.0 110.708 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 2.5 t -143.07 -27.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.05 -0.406 . . . . 25.0 111.927 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1395 ' ' GLU . . . . . 0.418 ' CD ' HH22 ' B' ' 405' ' ' ARG . 54.8 mt-10 -81.08 128.69 34.01 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.996 0.427 . . . . 25.0 111.64 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.7 t -138.35 167.78 21.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 16.9 t80 -75.72 90.05 2.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -64.44 -44.47 91.07 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 162.2 -175.1 38.7 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.857 -0.687 . . . . 25.0 113.758 174.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -93.47 155.01 17.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -127.88 156.47 42.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.13 -39.97 17.29 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 52.76 44.0 30.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.121 0.962 . . . . 25.0 112.226 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 124.358 2.028 . . . . 25.0 113.091 177.352 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.8 ttp . . . . . 0 N--CA 1.513 2.712 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -62.82 -41.38 99.28 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.162 -0.961 . . . . 25.0 108.98 -176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 18.3 m -71.29 -26.13 62.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.971 -0.456 . . . . 25.0 111.94 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.66 -40.99 72.69 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.66 -41.47 96.08 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.73 -41.42 81.78 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.67 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.6 96.69 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 122.002 -0.436 . . . . 25.0 110.337 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.96 -42.71 96.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.38 -41.92 97.89 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.735 -0.603 . . . . 25.0 110.525 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.43 87.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.535 . . . . 25.0 110.164 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.61 -41.85 95.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.147 0.498 . . . . 25.0 110.202 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.44 -38.54 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.825 -0.547 . . . . 25.0 110.128 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.18 -23.2 67.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.483 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.13 -32.65 10.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.342 0.401 . . . . 25.0 112.059 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 61.1 p -72.84 -22.4 60.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -172.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 29.8 mt -108.41 26.79 10.05 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 121.171 -0.212 . . . . 25.0 111.568 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -76.46 143.69 40.36 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 33.0 pt -65.53 -22.61 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.86 -34.31 33.82 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -147.06 62.49 1.18 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.6 OUTLIER -72.3 124.86 25.98 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 122.073 0.94 . . . . 25.0 112.952 -173.356 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -115.5 96.59 5.71 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 122.43 1.11 . . . . 25.0 109.404 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -44.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 114.334 -1.303 . . . . 25.0 111.55 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.47 -40.63 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.659 0.742 . . . . 25.0 112.432 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.67 -28.74 70.11 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.712 -0.618 . . . . 25.0 112.007 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.1 t -71.13 -38.13 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.429 -0.509 . . . . 25.0 111.347 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.28 -42.1 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.48 -43.12 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.675 0.75 . . . . 25.0 110.204 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.39 80.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 45.1 mt -75.18 -27.78 59.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.491 . . . . 25.0 110.924 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -40.87 48.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -59.35 -41.21 88.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.522 0.677 . . . . 25.0 109.19 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -34.67 74.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 25.0 111.057 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.37 -30.59 70.43 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.137 -0.352 . . . . 25.0 111.073 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.7 t -79.63 -31.99 41.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.879 0.872 . . . . 25.0 112.174 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.17 153.08 44.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.06 75.03 2.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.047 -0.979 . . . . 25.0 110.959 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.28 116.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.2 p -101.21 173.01 6.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.05 -34.58 75.1 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.0 -35.85 80.87 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.975 -0.453 . . . . 25.0 110.856 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.44 -36.21 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.371 -0.831 . . . . 25.0 109.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.04 -34.23 77.6 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.888 -0.508 . . . . 25.0 110.413 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.925 -0.484 . . . . 25.0 110.552 175.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.92 -33.61 75.95 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.642 0.734 . . . . 25.0 110.895 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -124.37 61.89 1.12 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.725 -0.67 . . . . 25.0 110.796 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.9 m -70.08 -20.04 63.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.275 1.036 . . . . 25.0 108.625 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.97 -28.69 70.26 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.169 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.6 ttm -62.39 -41.48 98.68 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.8 -43.12 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -63.2 -38.66 92.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.554 . . . . 25.0 111.563 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 42.8 m -68.0 -48.4 65.84 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.079 -0.388 . . . . 25.0 110.075 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.47 -38.06 76.78 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.361 0.6 . . . . 25.0 110.628 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -57.76 -33.36 68.41 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.546 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.04 -40.99 52.18 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.068 -0.395 . . . . 25.0 111.895 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.3 mt -65.33 -17.88 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.48 -10.91 13.27 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.912 -1.118 . . . . 25.0 112.467 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.418 HH22 ' CD ' ' A' 1395 ' ' GLU . 1.5 mmm180 -83.7 -14.8 50.86 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.43 72.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -73.34 -12.89 60.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.544 0.738 . . . . 25.0 111.494 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.58 -29.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.797 -1.092 . . . . 25.0 110.189 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -144.11 116.37 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 410' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 67.8 mt-30 -64.19 -32.77 74.48 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -172.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.4 -37.21 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.658 0.742 . . . . 25.0 111.578 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.97 -48.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.416 -0.803 . . . . 25.0 109.778 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 413' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 27.7 ptm -68.84 -30.92 69.56 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.153 -1.019 . . . . 25.0 110.577 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.21 -44.49 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.891 0.769 . . . . 25.0 111.635 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -67.1 -39.12 86.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 118.58 0.627 . . . . 25.0 109.997 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 55.5 p -69.34 -35.78 76.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.348 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.1 m -68.83 -39.07 80.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.778 0.717 . . . . 25.0 109.325 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.8 ttp -60.9 -47.53 85.99 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 110.483 -0.191 . . . . 25.0 110.483 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.43 -37.54 83.17 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 122.147 -0.346 . . . . 25.0 111.299 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.77 -42.55 93.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.936 0.398 . . . . 25.0 110.134 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.0 -37.96 72.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.165 -0.334 . . . . 25.0 111.658 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.35 -37.92 73.33 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.258 0.551 . . . . 25.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -101.78 7.39 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -77.38 -0.64 26.49 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -176.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -101.18 21.78 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.5 2.041 0 N-CA-C 116.231 1.937 . . . . 25.0 116.231 179.31 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 124.315 2.007 . . . . 25.0 116.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -84.29 95.41 1.92 Allowed Glycine 0 C--N 1.346 1.098 0 O-C-N 119.972 -1.705 . . . . 25.0 113.596 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -29.81 70.38 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.423 0.612 . . . . 25.0 112.139 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 8.3 m 51.39 52.95 13.72 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 117.452 2.39 . . . . 25.0 117.452 171.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.63 135.69 56.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.752 -0.832 . . . . 25.0 108.752 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 45.1 p -105.2 -5.55 20.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.733 1.383 . . . . 25.0 114.733 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -112.55 24.17 12.77 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.546 0.689 . . . . 25.0 110.979 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.6 m -88.1 159.18 18.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.467 . . . . 25.0 111.4 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.78 84.33 2.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 173.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -114.18 6.0 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 175.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -173.92 166.55 38.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 109.689 -1.364 . . . . 25.0 109.689 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.36 157.07 16.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.22 -25.53 63.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.149 0.499 . . . . 25.0 109.714 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 50.26 28.13 3.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -66.68 143.61 56.87 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.568 0.699 . . . . 25.0 109.958 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 49.1 t0 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 123.973 1.844 . . . . 25.0 112.301 176.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.427 1.64 . . . . 25.0 115.427 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -51.78 -50.6 60.42 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.361 -0.837 . . . . 25.0 112.188 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.7 m -59.76 -30.77 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -73.44 -38.17 65.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.669 -0.644 . . . . 25.0 109.669 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.58 -40.04 92.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -63.88 -37.24 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -61.53 -43.9 98.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.217 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.22 -40.33 82.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.086 -0.384 . . . . 25.0 110.548 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.82 95.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.233 -0.284 . . . . 25.0 110.233 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.53 -39.59 91.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.981 0.419 . . . . 25.0 110.427 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.49 -40.73 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.569 -0.707 . . . . 25.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.8 -38.85 86.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.023 -0.423 . . . . 25.0 110.244 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -78.35 -30.42 48.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -76.75 -22.51 53.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.445 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.4 mt -114.71 47.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 25.0 110.648 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.07 160.15 15.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.731 0.412 . . . . 25.0 111.87 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 48.9 pt -75.82 -15.57 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.15 -42.64 25.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -163.6 113.39 1.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 104.578 -2.379 . . . . 25.0 104.578 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.2 tt -100.61 116.04 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.276 0.56 . . . . 25.0 112.265 -174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -101.27 93.45 5.44 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 122.323 1.058 . . . . 25.0 110.51 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.4 -43.37 82.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.658 -1.155 . . . . 25.0 111.22 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.73 -42.26 86.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.067 -0.395 . . . . 25.0 111.69 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 25.0 111.758 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.75 -41.48 98.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.71 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.5 mt -65.88 -41.76 90.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.37 -46.9 86.53 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.116 0.484 . . . . 25.0 110.913 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.33 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 25.0 111.175 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.11 -36.76 85.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.122 -0.361 . . . . 25.0 110.537 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.19 -37.62 72.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.11 -41.81 93.39 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.083 0.468 . . . . 25.0 110.337 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.45 77.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 25.0 110.327 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.15 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.231 -0.293 . . . . 25.0 111.314 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 26.5 t -79.69 -18.71 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 25.0 111.823 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.38 139.5 47.88 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.919 0.866 . . . . 25.0 113.17 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -83.45 71.1 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.914 -1.039 . . . . 25.0 109.666 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.02 118.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.7 p -76.4 160.28 29.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.6 ptm -57.27 -33.51 67.7 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.04 -42.59 84.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.186 0.517 . . . . 25.0 110.337 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.27 -34.64 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.85 89.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 25.0 110.227 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.03 -38.21 66.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.208 0.528 . . . . 25.0 111.326 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -67.04 -36.05 81.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -98.33 67.08 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.91 0.862 . . . . 25.0 110.429 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -22.77 60.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.151 -0.931 . . . . 25.0 111.183 -172.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.26 -29.08 64.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.572 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.05 -35.05 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.781 -0.645 . . . . 25.0 109.944 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -60.5 -42.93 97.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 22.4 m -62.87 -45.4 92.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 119.548 -0.263 . . . . 25.0 110.984 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.32 -39.17 72.33 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.347 0.594 . . . . 25.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.34 -34.86 79.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.82 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.03 -43.75 61.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.11 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -10.98 17.84 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.499 -0.75 . . . . 25.0 111.81 176.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -81.03 -12.4 59.35 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -67.74 80.46 0.19 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -69.04 -23.36 64.05 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.926 1.29 . . . . 25.0 111.764 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -23.31 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.2 t -145.54 120.07 9.74 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -64.53 -29.89 70.92 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.673 -0.694 . . . . 25.0 110.513 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.44 -40.82 87.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 O-C-N 122.29 -0.256 . . . . 25.0 111.075 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.84 -43.51 82.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.671 -0.643 . . . . 25.0 111.059 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 ptm -69.8 -30.34 67.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 119.759 -0.776 . . . . 25.0 110.535 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -69.68 -46.14 66.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.675 -0.641 . . . . 25.0 110.858 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.32 -45.55 93.96 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 110.389 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 21.7 p -63.36 -38.24 90.37 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.183 -0.607 . . . . 25.0 111.021 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -40.05 88.59 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.087 -0.383 . . . . 25.0 110.39 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -43.37 98.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.319 . . . . 25.0 110.606 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.04 -38.0 81.99 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.173 -0.329 . . . . 25.0 110.239 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.28 -40.39 93.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.547 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.82 -41.12 97.93 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.45 0.167 . . . . 25.0 111.45 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.42 81.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.924 -0.311 . . . . 25.0 111.343 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -75.43 -21.4 58.21 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.096 -0.642 . . . . 25.0 111.562 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -87.24 61.91 6.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.37 1.081 . . . . 25.0 108.567 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 C--O 1.209 -1.035 0 CA-C-O 123.809 1.766 . . . . 25.0 114.594 -175.619 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 124.405 2.05 . . . . 25.0 115.453 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -172.67 43.07 0.17 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 119.791 -1.818 . . . . 25.0 113.271 -174.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -71.73 143.07 49.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 46.5 t -148.75 148.2 29.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.24 22.73 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 77.9 p -142.34 143.44 32.75 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.614 -175.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -95.68 -65.13 0.99 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.188 0.518 . . . . 25.0 111.861 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 21.7 t 59.45 85.58 0.1 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 74.67 70.96 0.1 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.048 1.339 . . . . 25.0 110.289 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.52 8.09 19.16 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 121.527 0.679 . . . . 25.0 109.429 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -169.29 -169.25 32.39 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-O 122.089 0.827 . . . . 25.0 114.693 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.91 150.55 51.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 101.658 -3.46 . . . . 25.0 101.658 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.4 mp0 54.13 44.01 29.82 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.652 1.215 . . . . 25.0 108.472 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -62.96 128.32 35.32 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 113.721 -1.581 . . . . 25.0 107.133 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -90.28 170.42 10.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.427 1.108 . . . . 25.0 110.742 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 39.4 t0 . . . . . 0 C--O 1.213 -0.839 0 CA-C-O 124.679 2.18 . . . . 25.0 111.223 176.311 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 348' ' ' MET . . . . . 0.412 ' HG3' HE22 ' B' ' 389' ' ' GLN . 14.6 tpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.67 -31.4 72.4 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.107 -1.62 . . . . 25.0 110.046 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -30.27 69.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.563 . . . . 25.0 111.318 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -68.58 -44.53 74.22 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.16 -41.63 97.07 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.727 0.299 . . . . 25.0 110.392 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.17 -37.75 86.39 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.902 -0.319 . . . . 25.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.39 -43.96 96.08 Favored 'General case' 0 C--O 1.211 -0.928 0 O-C-N 121.592 -0.693 . . . . 25.0 110.264 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.6 mt -64.4 -41.06 91.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -60.17 -40.9 91.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.793 -0.567 . . . . 25.0 111.251 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.56 -35.06 76.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 25.0 110.618 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.9 -30.23 71.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 119.447 -0.311 . . . . 25.0 110.372 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.75 -44.6 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -65.51 -40.52 93.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.388 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.74 -31.68 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 50.8 m -75.01 -22.66 58.37 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.84 50.75 1.92 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -77.5 158.88 29.72 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 123.305 0.642 . . . . 25.0 111.78 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -35.29 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.54 145.01 3.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 103.561 -2.755 . . . . 25.0 103.561 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 pp -145.84 152.55 39.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.922 0.783 . . . . 25.0 111.406 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.28 118.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.499 1.142 . . . . 25.0 112.275 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.35 -41.72 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 113.794 -1.548 . . . . 25.0 110.374 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.85 -39.27 80.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.909 -0.495 . . . . 25.0 111.993 -175.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.605 0.241 . . . . 25.0 110.569 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 16.8 t -66.08 -41.79 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.928 -0.309 . . . . 25.0 110.658 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.87 -43.35 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.47 -44.81 93.37 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 111.73 0.27 . . . . 25.0 111.73 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.19 89.19 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.489 0.662 . . . . 25.0 111.508 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.53 -33.1 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.027 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -33.35 57.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.417 -0.513 . . . . 25.0 112.312 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.72 -44.79 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -36.05 81.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.106 -0.331 . . . . 25.0 110.106 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.44 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.749 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.4 t -79.93 -23.29 41.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 25.0 112.004 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.47 146.94 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.495 0.664 . . . . 25.0 111.63 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.02 64.18 3.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.326 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.11 143.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.8 p -111.89 164.67 12.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 25.0 112.154 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 17.4 ttt -59.65 -38.31 81.06 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.218 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.39 -30.04 68.87 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.966 -0.694 . . . . 25.0 111.485 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.412 HE22 ' HG3' ' B' ' 348' ' ' MET . 81.9 mt-30 -71.65 -37.32 70.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.61 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.9 91.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.96 0.41 . . . . 25.0 111.047 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.2 -25.42 64.32 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.984 -0.447 . . . . 25.0 112.151 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -118.84 44.43 2.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.522 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -63.89 -21.67 66.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.526 1.155 . . . . 25.0 108.613 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.85 -42.78 85.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.538 -0.755 . . . . 25.0 112.27 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -72.31 -25.31 61.52 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.551 -0.718 . . . . 25.0 110.583 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.22 -34.74 68.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -70.32 -38.25 74.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.175 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.4 m -62.1 -42.21 99.0 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.915 -0.491 . . . . 25.0 111.254 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.73 -35.81 75.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.879 0.309 . . . . 25.0 110.324 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.29 -33.85 76.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.744 -0.207 . . . . 25.0 111.038 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -66.59 -38.71 87.59 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.734 -0.604 . . . . 25.0 112.105 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.6 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 -171.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -10.91 30.25 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.175 -0.953 . . . . 25.0 111.549 172.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -80.77 -25.77 37.7 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 119.38 -0.343 . . . . 25.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -69.21 110.17 4.45 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -106.1 -7.1 18.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.29 1.589 . . . . 25.0 115.29 -172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.93 -30.84 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 25.0 111.022 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -135.79 120.78 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.83 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.686 0.625 . . . . 25.0 112.686 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.83 -32.85 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.585 0.707 . . . . 25.0 110.629 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.92 -47.95 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.862 -0.524 . . . . 25.0 110.243 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -70.01 -30.31 67.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.6 -0.84 . . . . 25.0 111.2 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.81 -41.98 58.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.106 -0.996 . . . . 25.0 111.309 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.47 -36.15 78.57 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.576 -0.703 . . . . 25.0 111.477 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.8 p -67.5 -37.24 82.52 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.944 -0.702 . . . . 25.0 109.981 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -67.84 -39.16 83.88 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -60.33 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.94 -43.73 98.23 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 122.19 -0.319 . . . . 25.0 111.372 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.45 -44.52 80.57 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.463 0.649 . . . . 25.0 110.55 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -70.11 -35.77 74.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.864 -0.523 . . . . 25.0 111.906 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -64.38 -34.19 77.58 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.36 -42.03 68.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 25.0 111.875 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -72.52 -10.45 59.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 119.968 -0.693 . . . . 25.0 112.137 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -69.53 -16.81 63.5 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.815 0.817 . . . . 25.0 110.752 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 75.8 mtm . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 125.057 2.36 . . . . 25.0 112.162 178.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 N--CA 1.511 2.623 0 N-CA-C 116.127 1.899 . . . . 25.0 116.127 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -85.07 42.33 3.14 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 120.535 -1.353 . . . . 25.0 112.649 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.69 147.83 47.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 50.0 m -99.77 133.05 44.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.41 140.45 50.57 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 103.598 -2.741 . . . . 25.0 103.598 168.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 8.9 t -172.72 -2.66 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -93.72 80.7 4.24 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.077 -1.014 . . . . 25.0 112.188 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 2.8 m -102.14 161.72 13.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.301 1.593 . . . . 25.0 115.301 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -88.86 107.82 19.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -55.3 14.74 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 119.887 3.292 . . . . 25.0 119.887 -174.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 164.16 67.93 0.02 OUTLIER Glycine 0 C--N 1.325 -0.07 0 N-CA-C 116.956 1.542 . . . . 25.0 116.956 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1400 ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.2 OUTLIER -81.1 -31.18 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 173.046 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.81 -79.62 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 119.024 -0.513 . . . . 25.0 111.541 -177.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.13 170.56 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -126.32 158.35 36.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.156 0.503 . . . . 25.0 109.816 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 125.526 2.584 . . . . 25.0 112.743 -179.643 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.04 -46.82 75.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.97 0.908 . . . . 25.0 109.504 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 p -60.99 -29.35 69.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.53 -39.16 62.53 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 121.396 -0.815 . . . . 25.0 109.842 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.608 -0.515 . . . . 25.0 109.608 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -62.82 -40.54 97.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.745 0.307 . . . . 25.0 111.009 176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -63.21 -43.66 97.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 111.076 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.57 -41.27 88.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -57.77 -42.03 83.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.088 -0.383 . . . . 25.0 111.508 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.88 97.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 25.0 110.351 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -63.65 -35.8 81.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.408 . . . . 25.0 110.734 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.45 -39.14 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.047 -0.408 . . . . 25.0 110.185 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 360' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 17.4 mtpt -65.17 -37.61 87.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.054 -0.658 . . . . 25.0 110.258 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -76.26 -34.26 59.14 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 88.4 p -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 83.0 mt -135.28 30.86 3.23 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.984 0.421 . . . . 25.0 111.309 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -68.04 163.05 23.19 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 120.668 0.271 . . . . 25.0 110.7 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 36.5 pt -93.31 -7.62 10.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 116.722 -0.217 . . . . 25.0 110.827 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.77 -33.1 25.09 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.573 0.702 . . . . 25.0 111.983 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 11.6 t30 175.21 144.37 0.06 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 102.309 -3.219 . . . . 25.0 102.309 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.79 154.9 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.76 1.392 . . . . 25.0 114.76 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -104.47 101.6 11.27 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.65 -0.704 . . . . 25.0 110.732 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.36 -44.54 75.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.044 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -66.05 -37.48 85.94 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.64 -34.54 78.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.318 0.508 . . . . 25.0 110.249 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.91 -43.43 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.193 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.76 -43.8 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.43 -39.08 93.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.087 0.47 . . . . 25.0 111.138 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.964 0.411 . . . . 25.0 110.428 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.65 -42.52 91.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.274 -0.421 . . . . 25.0 110.218 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.33 -39.48 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 25.0 111.858 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.05 -42.08 93.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.796 0.331 . . . . 25.0 110.492 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -35.9 77.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.045 0.45 . . . . 25.0 110.543 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.27 75.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -12.76 59.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 136.71 52.97 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.292 1.044 . . . . 25.0 113.492 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -83.24 60.06 5.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.34 -1.3 . . . . 25.0 108.858 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.62 139.81 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.679 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 60.5 p -81.01 162.3 23.88 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.114 0.483 . . . . 25.0 110.375 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.6 ttt -61.48 -41.24 96.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.601 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.25 -34.72 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.154 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -68.78 -39.15 80.34 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.167 -0.613 . . . . 25.0 110.26 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.08 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -64.26 -33.49 75.94 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 122.454 0.301 . . . . 25.0 111.682 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -75.72 -28.94 58.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -101.57 46.96 0.92 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m -64.36 -27.41 69.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.95 0.881 . . . . 25.0 109.414 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.99 -33.37 74.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.392 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -64.69 -34.4 78.21 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.601 -0.687 . . . . 25.0 109.486 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.9 mm -67.79 -35.04 71.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -63.52 -40.28 96.62 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.125 -0.36 . . . . 25.0 110.034 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 9.3 m -59.63 -49.16 78.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.52 -46.68 88.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.12 0.486 . . . . 25.0 110.618 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -49.79 -40.97 43.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -61.63 -44.36 97.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 23.4 mt -54.41 -18.05 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -57.59 -21.81 41.19 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.907 -1.12 . . . . 25.0 112.287 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -82.43 -7.75 59.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -74.73 72.34 2.0 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 166.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -72.65 -2.03 18.51 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.788 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.426 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.9 OUTLIER -71.11 -29.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.518 -177.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 46.5 t -124.88 120.15 30.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -72.95 -30.24 63.71 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.1 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.66 -39.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.681 -0.637 . . . . 25.0 110.705 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.42 -43.79 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.465 -0.494 . . . . 25.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.82 -27.86 64.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 119.398 -0.921 . . . . 25.0 111.113 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.61 -45.92 77.57 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.619 -0.676 . . . . 25.0 110.218 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.59 -38.95 92.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 50.3 m -60.67 -35.94 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.226 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 417' ' ' THR . . . . . 0.494 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 38.4 m -68.17 -37.03 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.979 -0.45 . . . . 25.0 111.449 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.1 -42.74 99.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.41 -37.69 74.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 119.308 -0.377 . . . . 25.0 111.657 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 24.4 m-85 -57.48 -42.66 83.09 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.62 -36.04 82.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 25.0 110.558 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.24 21.17 17.82 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -71.36 -11.5 60.93 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -160.97 -56.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 122.53 1.157 . . . . 25.0 108.004 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.86 2.266 . . . . 25.0 112.685 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 123.189 1.471 . . . . 25.0 114.142 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -88.06 164.2 33.67 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.919 -1.113 . . . . 25.0 113.4 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -87.39 162.73 17.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.11 0.481 . . . . 25.0 111.853 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 12.3 m -79.8 57.02 2.43 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.975 0.51 . . . . 25.0 111.205 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.95 58.96 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 1.2 p -141.86 -53.35 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.571 -0.706 . . . . 25.0 112.897 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -96.75 138.4 34.37 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.74 1.385 . . . . 25.0 114.74 -174.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 70.8 m -135.11 -30.96 1.02 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-N 114.84 -1.073 . . . . 25.0 112.184 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1397 ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' B' ' 403' ' ' ILE . 1.6 t80 -99.39 -18.55 17.44 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 57.95 70.92 0.61 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.478 1.132 . . . . 25.0 110.415 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.59 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 108.753 -1.739 . . . . 25.0 108.753 -171.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 23.4 t80 -99.29 10.05 42.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.871 0.835 . . . . 25.0 111.353 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -158.05 -53.74 0.07 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 169.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -159.29 -0.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.936 -0.574 . . . . 25.0 112.265 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -159.95 165.7 31.54 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 123.7 1.714 . . . . 25.0 111.541 174.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -62.73 -36.85 84.33 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.792 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.2 t -60.1 -42.1 93.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.948 0.404 . . . . 25.0 111.419 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -66.27 -41.39 89.95 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.915 -0.714 . . . . 25.0 109.267 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.88 -40.35 92.67 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.006 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -59.42 -41.37 89.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.213 -0.304 . . . . 25.0 111.511 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -62.9 -44.46 96.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.14 -43.67 98.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -61.07 -38.05 84.85 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.975 0.416 . . . . 25.0 111.204 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.69 80.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.882 0.372 . . . . 25.0 110.022 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.73 -41.91 90.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -73.21 -43.3 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.91 -0.494 . . . . 25.0 111.413 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.17 -41.06 97.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.9 p -73.35 -11.39 60.47 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' 1397 ' ' PHE . 64.0 mt -114.56 15.83 17.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.823 0.344 . . . . 25.0 111.363 -177.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -77.77 142.88 38.38 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 34.4 pt -68.27 -12.87 16.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.761 0.791 . . . . 25.0 111.473 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.07 -36.1 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.609 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -168.42 65.75 0.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.634 -0.876 . . . . 25.0 108.634 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 125.19 26.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.442 . . . . 25.0 112.178 -173.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -128.42 103.29 7.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.292 1.044 . . . . 25.0 110.575 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.43 -39.96 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.002 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.82 -43.97 82.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 120.831 0.348 . . . . 25.0 110.384 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.22 -31.73 72.74 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.982 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.9 t -62.75 -43.26 99.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -43.77 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.462 -0.336 . . . . 25.0 110.489 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -39.23 92.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 122.059 -0.401 . . . . 25.0 111.854 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.83 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.453 0.644 . . . . 25.0 110.313 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.58 -37.5 73.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.405 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.5 -32.08 64.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.78 -25.53 61.2 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 120.987 -1.071 . . . . 25.0 108.938 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -39.36 75.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.57 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.567 0.347 . . . . 25.0 111.845 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 13.5 t -79.29 -18.49 52.57 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.634 0.73 . . . . 25.0 109.762 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.35 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.147 0.499 . . . . 25.0 109.75 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.15 79.24 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.24 156.17 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.934 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.1 p -78.22 161.52 27.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -63.5 -26.1 68.56 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.735 0.302 . . . . 25.0 110.778 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.31 -39.77 94.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 25.0 109.908 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -72.57 -35.47 67.97 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.99 92.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.53 -36.07 68.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 25.0 111.253 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.67 -31.99 73.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.557 0.694 . . . . 25.0 109.634 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -114.21 50.67 0.92 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.596 -0.729 . . . . 25.0 110.646 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 95.7 m -63.62 -22.76 67.07 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.122 0.963 . . . . 25.0 108.741 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.58 -33.46 68.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.353 -0.84 . . . . 25.0 112.425 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.87 -36.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.806 -0.559 . . . . 25.0 109.835 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.44 -39.96 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.9 m -63.75 -44.56 93.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.506 -0.554 . . . . 25.0 109.506 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 47.9 m -60.27 -45.46 93.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.057 0.392 . . . . 25.0 112.057 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.15 -35.77 76.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.41 0.624 . . . . 25.0 111.793 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -64.28 -34.79 78.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.528 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -72.29 -44.96 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.537 ' HA ' ' CZ ' ' A' 1397 ' ' PHE . 0.1 OUTLIER -57.94 -13.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -176.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.06 -17.01 50.12 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.36 -15.88 51.21 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' 1397 ' ' PHE . 25.1 t80 -48.6 117.66 2.14 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.988 0.423 . . . . 25.0 110.485 174.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -96.03 -36.35 11.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.092 1.886 . . . . 25.0 116.092 -164.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.23 -9.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 114.991 1.478 . . . . 25.0 114.991 -170.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.3 t -143.75 120.45 11.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.4 0.619 . . . . 25.0 110.495 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -76.06 -9.78 58.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 25.0 111.65 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.35 -41.94 86.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.603 -0.686 . . . . 25.0 109.777 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.58 -42.43 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 122.372 -0.205 . . . . 25.0 111.504 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.6 ptm -65.95 -33.47 75.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.526 -0.734 . . . . 25.0 110.531 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -72.38 -44.38 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -63.05 -39.36 94.51 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.664 -0.648 . . . . 25.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.2 p -70.23 -39.98 74.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 2.3 t -72.96 -28.81 62.63 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.818 -0.551 . . . . 25.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.5 ttp -60.81 -48.91 79.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.941 0.4 . . . . 25.0 110.216 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.66 -43.36 93.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 25.0 110.03 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -57.36 -40.44 78.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.13 -0.487 . . . . 25.0 110.737 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.06 -42.08 89.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.618 -0.265 . . . . 25.0 111.461 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.0 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.976 -0.29 . . . . 25.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -74.96 -32.17 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -77.57 -17.98 57.35 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.586 -0.696 . . . . 25.0 111.536 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -135.65 75.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.991 0.9 . . . . 25.0 109.585 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.209 -1.065 0 CA-C-O 124.629 2.157 . . . . 25.0 112.339 179.115 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.513 2.687 0 N-CA-C 116.555 2.057 . . . . 25.0 116.555 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -163.65 169.0 38.5 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 119.914 -1.741 . . . . 25.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.72 157.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.179 0.514 . . . . 25.0 110.904 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 19.5 m -93.63 37.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.642 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -70.79 -30.91 67.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.959 -0.463 . . . . 25.0 111.689 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 37.3 p -78.21 -9.38 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.046 0.451 . . . . 25.0 111.592 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.93 52.61 2.46 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 80.6 p -134.07 170.23 15.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -101.39 -56.45 2.3 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 18.6 t80 63.14 -43.36 0.21 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.444 2.387 . . . . 25.0 117.444 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -177.16 -179.81 47.67 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.055 -1.618 . . . . 25.0 109.055 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1400 ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 1.1 m-85 -94.11 -7.87 41.22 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.833 1.049 . . . . 25.0 113.833 -177.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.33 -12.64 61.4 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.67 -6.8 8.58 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.518 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -97.99 7.35 46.47 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 121.787 -0.571 . . . . 25.0 110.993 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 N--CA 1.5 2.035 0 C-N-CA 126.393 1.877 . . . . 25.0 114.549 -178.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.312 1.529 . . . . 25.0 114.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.32 -36.78 85.23 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.073 -0.967 . . . . 25.0 111.357 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.1 m -61.71 -30.91 71.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.509 0.671 . . . . 25.0 111.05 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -77.49 -36.41 52.72 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.778 -0.576 . . . . 25.0 110.589 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.26 -38.5 85.23 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.64 -0.424 . . . . 25.0 110.209 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.66 -42.36 98.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.066 -0.254 . . . . 25.0 110.347 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.29 -44.83 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.184 -0.322 . . . . 25.0 111.479 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -41.25 86.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.01 -41.22 96.12 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.045 -0.409 . . . . 25.0 112.043 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.02 87.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.622 0.725 . . . . 25.0 110.587 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.63 -28.61 69.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.125 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.91 -45.95 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 121.727 0.775 . . . . 25.0 110.423 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 360' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 40.6 mtpt -67.48 -35.12 78.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.297 -0.561 . . . . 25.0 111.72 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 361' ' ' ASN . . . . . 0.406 ' HA ' ' HE3' ' B' ' 364' ' ' LYS . 87.3 m-20 -70.1 -32.79 70.99 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 56.6 p -88.04 -5.6 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.8 41.97 3.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.381 0.61 . . . . 25.0 111.537 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 364' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 361' ' ' ASN . 99.4 mttt -71.12 172.55 8.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.849 -0.614 . . . . 25.0 109.884 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.907 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.53 -36.19 16.53 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.911 1.449 . . . . 25.0 114.911 -170.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.39 105.3 5.9 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 2.1 pp -133.76 154.89 50.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -117.84 105.2 11.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.263 0.554 . . . . 25.0 110.863 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.92 -45.01 87.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 114.969 -1.014 . . . . 25.0 111.999 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -71.46 -36.68 71.28 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.399 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -62.96 -34.75 78.18 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.864 -0.522 . . . . 25.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.81 -41.23 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.371 0.605 . . . . 25.0 110.437 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -46.52 94.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.106 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.73 -44.59 93.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.118 0.485 . . . . 25.0 111.337 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.89 97.51 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.253 0.549 . . . . 25.0 110.568 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.49 -41.37 76.2 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.897 -0.502 . . . . 25.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.29 -37.56 83.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.948 0.34 . . . . 25.0 111.711 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -64.06 -39.89 95.06 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.531 -0.731 . . . . 25.0 109.881 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -32.08 73.48 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.278 0.561 . . . . 25.0 110.676 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.38 71.93 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.515 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 24.9 m -79.56 -20.78 46.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 114.217 1.191 . . . . 25.0 114.217 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.53 131.06 41.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.34 0.591 . . . . 25.0 112.121 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.12 55.97 3.32 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.686 0.755 . . . . 25.0 109.704 174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.79 134.73 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.8 p -81.87 160.22 23.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.274 0.559 . . . . 25.0 112.003 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -62.34 -28.36 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.87 -33.95 68.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.278 0.561 . . . . 25.0 111.006 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -78.85 -35.28 44.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.299 -0.876 . . . . 25.0 110.328 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.69 68.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.704 0.402 . . . . 25.0 110.986 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.6 -32.26 65.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.96 0.504 . . . . 25.0 112.248 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.04 -7.04 53.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.29 43.09 3.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.29 -0.414 . . . . 25.0 112.063 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -64.6 -29.01 70.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.939 0.876 . . . . 25.0 109.706 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -62.77 -35.75 80.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.794 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.48 -31.17 71.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.194 0.521 . . . . 25.0 110.077 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.41 -38.33 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -64.42 -40.87 96.6 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.6 m -60.79 -45.07 95.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 119.602 -0.237 . . . . 25.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.17 -38.93 71.58 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.1 0.476 . . . . 25.0 110.602 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.83 -31.63 72.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 25.0 112.074 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.54 -36.84 71.11 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.21 0.459 . . . . 25.0 111.217 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.51 -17.57 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -171.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -12.52 15.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.777 -1.202 . . . . 25.0 112.79 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.25 -14.17 50.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.28 95.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.505 -0.747 . . . . 25.0 112.134 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -100.03 6.11 45.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.93 -24.85 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -150.85 119.98 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.39 -25.25 64.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.609 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.91 -37.44 54.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-O 121.79 0.805 . . . . 25.0 110.48 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.11 -42.21 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 121.948 -0.47 . . . . 25.0 112.16 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -68.54 -30.98 69.89 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.518 -0.739 . . . . 25.0 110.438 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -67.61 -52.49 37.74 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.46 -41.76 98.61 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.137 -0.352 . . . . 25.0 111.64 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.2 p -64.92 -36.89 85.84 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.744 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 59.3 m -65.57 -39.44 91.67 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.58 -43.14 97.85 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 122.135 -0.353 . . . . 25.0 110.714 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.2 -38.21 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.144 -0.347 . . . . 25.0 111.568 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -62.11 -38.61 89.53 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -67.89 -32.86 73.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.02 -33.4 74.29 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -101.03 23.58 10.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.243 1.571 . . . . 25.0 115.243 -177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.49 -26.28 68.46 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 172.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.49 97.47 11.21 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 169.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 118.438 2.755 . . . . 25.0 118.438 -171.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -97.67 178.81 32.71 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 121.102 -0.998 . . . . 25.0 112.34 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -127.29 151.1 49.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 14.0 m 53.77 26.04 5.67 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.645 1.35 . . . . 25.0 114.645 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.76 -32.05 68.91 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 9.0 t -136.99 26.92 2.96 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.685 0.755 . . . . 25.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.73 127.25 32.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.681 0.753 . . . . 25.0 110.772 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 42.4 p -154.92 -177.53 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.22 112.86 6.07 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 172.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -56.54 99.1 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.248 -0.887 . . . . 25.0 112.106 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 127.93 10.21 3.59 Favored Glycine 0 C--O 1.242 0.623 0 CA-C-N 116.48 -0.327 . . . . 25.0 112.716 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.26 28.83 7.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.558 0.694 . . . . 25.0 110.816 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -81.15 57.28 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -75.55 124.6 27.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.574 -171.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 55.7 38.31 29.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.08 -0.964 . . . . 25.0 111.746 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 123.447 1.594 . . . . 25.0 111.23 177.061 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.38 -57.59 11.61 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.061 -1.024 . . . . 25.0 113.061 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.5 m -64.77 -28.23 69.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.829 -0.545 . . . . 25.0 112.46 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -66.19 -46.93 75.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.41 -37.98 71.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.673 -177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -55.36 -47.02 76.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.636 0.255 . . . . 25.0 110.433 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -63.83 -44.8 92.14 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.623 -0.431 . . . . 25.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.24 -43.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.78 -40.44 92.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.621 0.248 . . . . 25.0 111.28 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.9 87.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.858 0.361 . . . . 25.0 110.568 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.99 -30.2 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.358 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.65 -44.82 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.08 -41.01 67.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -37.53 87.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.7 p -77.59 -10.64 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.453 1.279 . . . . 25.0 114.453 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.22 15.83 11.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -81.85 157.04 24.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.007 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.82 -21.11 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.231 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.06 -33.42 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.576 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -170.42 95.35 0.23 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.514 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.47 116.09 16.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -127.54 92.88 3.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.789 1.28 . . . . 25.0 109.905 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.09 -41.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.112 -1.403 . . . . 25.0 111.19 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.43 -38.6 74.6 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.155 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -61.21 -37.83 84.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.007 0.432 . . . . 25.0 110.635 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.4 t -65.14 -42.68 93.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.305 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.88 -43.85 97.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.734 0.302 . . . . 25.0 110.707 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.44 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.33 0.586 . . . . 25.0 110.728 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.26 -38.51 75.13 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.943 -0.473 . . . . 25.0 111.005 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -74.81 -26.92 60.06 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.953 -0.467 . . . . 25.0 111.327 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.89 -41.77 92.32 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 170.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -37.49 81.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.71 -24.9 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 25.0 111.439 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.0 m -84.0 -8.34 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.529 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.0 mt -96.77 136.08 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.709 . . . . 25.0 110.874 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.17 62.14 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.623 0.725 . . . . 25.0 110.947 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.08 121.02 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.1 p -87.21 165.74 15.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.779 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 19.9 ptp -62.29 -26.54 68.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.624 0.249 . . . . 25.0 111.257 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.75 -39.7 80.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 25.0 110.207 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.02 -34.35 61.89 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.65 74.05 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 122.181 -0.325 . . . . 25.0 110.581 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.39 -20.61 66.45 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.85 -15.16 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.415 0.626 . . . . 25.0 110.775 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -127.86 45.0 2.82 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -26.73 66.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 122.303 1.049 . . . . 25.0 111.013 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -69.19 -29.04 66.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.577 -1.192 . . . . 25.0 111.253 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.7 ttp -67.83 -31.97 72.18 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.39 -35.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.3 m -62.19 -41.43 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.4 m -62.83 -45.73 91.22 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.151 -0.343 . . . . 25.0 110.915 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.72 -36.24 76.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.481 0.658 . . . . 25.0 111.059 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -61.77 -34.5 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.808 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.83 -55.31 5.95 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -25.71 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 116.515 2.043 . . . . 25.0 116.515 -164.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -62.02 -10.86 11.03 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -81.09 -17.47 49.91 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -49.62 107.5 0.15 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.475 0.655 . . . . 25.0 112.388 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -65.69 -31.95 73.24 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.116 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.53 7.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 115.422 1.638 . . . . 25.0 115.422 -163.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.0 t -148.42 119.95 7.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.92 0.867 . . . . 25.0 112.619 173.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.61 -24.2 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.61 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.97 -39.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 121.869 -0.519 . . . . 25.0 109.629 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.02 -42.23 95.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.67 -30.63 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.077 -1.049 . . . . 25.0 112.28 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -46.76 60.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.685 0.675 . . . . 25.0 110.047 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.62 -47.37 85.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.258 0.552 . . . . 25.0 111.588 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 44.4 p -65.42 -36.52 84.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.633 -0.427 . . . . 25.0 111.01 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.9 m -69.54 -41.87 75.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.968 -0.458 . . . . 25.0 110.262 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 22.7 ttt -58.16 -51.34 70.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.995 0.426 . . . . 25.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.62 -43.88 88.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.406 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.08 -43.03 95.77 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.525 -0.47 . . . . 25.0 110.218 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -64.56 -39.73 94.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.161 -0.337 . . . . 25.0 111.034 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.87 -45.12 90.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -82.15 -29.76 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -175.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -20.34 62.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.427 0.558 . . . . 25.0 110.417 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -88.42 76.63 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.303 1.049 . . . . 25.0 109.377 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 68.2 mtp . . . . . 0 C--O 1.213 -0.836 0 CA-C-O 125.23 2.443 . . . . 25.0 112.623 -175.859 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.502 2.155 0 CA-C-O 125.699 2.666 . . . . 25.0 114.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -166.54 167.66 39.64 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 108.072 -2.011 . . . . 25.0 108.072 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.79 -47.49 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.877 0.839 . . . . 25.0 111.719 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 23.2 t -164.6 131.3 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.44 0.162 . . . . 25.0 111.227 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -143.81 151.76 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 106.215 -1.772 . . . . 25.0 106.215 172.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.82 43.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.345 -0.222 . . . . 25.0 110.897 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.2 tp10 72.0 135.59 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.391 1.476 . . . . 25.0 111.446 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 38.7 t -138.39 150.61 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.89 -0.506 . . . . 25.0 110.211 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 69.7 t80 -125.29 -3.14 7.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.303 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.87 139.59 57.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 97.08 64.59 0.91 Allowed Glycine 0 CA--C 1.521 0.416 0 CA-C-O 122.224 0.902 . . . . 25.0 110.952 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -32.08 70.56 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.832 -0.805 . . . . 25.0 109.918 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -127.03 169.29 13.52 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.535 -1.654 . . . . 25.0 106.535 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -80.24 157.92 26.35 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.284 0.365 . . . . 25.0 111.347 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 64.72 -179.64 0.18 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.656 1.183 . . . . 25.0 112.693 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 124.696 2.189 . . . . 25.0 111.198 -177.004 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 116.22 1.933 . . . . 25.0 116.22 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -52.81 -55.09 25.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.473 1.109 . . . . 25.0 112.78 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.3 m -65.48 -28.09 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.94 -43.02 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.24 -37.53 85.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.639 -0.255 . . . . 25.0 110.503 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.69 -45.05 86.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.21 -0.196 . . . . 25.0 110.537 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -65.04 -43.92 90.78 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.816 -0.353 . . . . 25.0 111.517 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.15 -44.73 99.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -58.83 -43.15 90.62 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.127 -0.358 . . . . 25.0 110.74 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.2 -40.32 94.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.638 0.256 . . . . 25.0 110.734 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 25.0 110.078 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.25 -41.65 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.947 -0.47 . . . . 25.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -61.44 -28.54 69.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -95.24 -20.74 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 97.3 p -68.56 -25.95 65.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.638 0.977 . . . . 25.0 113.638 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.04 48.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.389 0.614 . . . . 25.0 110.562 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.69 170.5 8.13 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.402 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.57 -35.27 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.361 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.18 -39.94 64.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.915 0.886 . . . . 25.0 112.173 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -173.54 130.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.14 111.05 22.57 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.357 0.599 . . . . 25.0 109.801 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -105.07 84.79 2.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.31 -47.03 78.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.872 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -70.78 -33.67 70.99 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -59.54 -38.84 82.12 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.52 -44.31 94.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.64 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.51 -47.39 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.391 -0.225 . . . . 25.0 110.391 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.17 -44.2 97.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.192 0.52 . . . . 25.0 111.159 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.59 99.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 25.0 110.489 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.13 -36.12 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.435 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -36.72 61.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -68.15 -34.43 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 118.483 -1.287 . . . . 25.0 107.692 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.8 -31.58 72.62 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.029 0.442 . . . . 25.0 110.758 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.61 69.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.436 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 m -84.01 -21.21 31.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.99 143.05 50.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -79.3 68.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.631 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 118.28 23.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.3 p -80.41 165.63 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.794 0.331 . . . . 25.0 110.251 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -60.74 -32.17 71.47 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 122.09 -0.381 . . . . 25.0 111.83 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.47 -35.88 80.05 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.771 -0.58 . . . . 25.0 110.494 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -69.37 -37.67 77.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.41 93.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.264 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -63.98 -42.13 97.32 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -66.9 -36.06 81.42 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.494 0.664 . . . . 25.0 110.902 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -104.16 45.37 0.96 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.656 -0.702 . . . . 25.0 109.477 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 93.6 m -67.58 -27.04 66.6 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.87 -29.02 69.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.12 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.5 ttp -69.88 -28.82 65.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.49 -38.53 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -62.31 -41.61 98.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.3 m -61.28 -46.16 91.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 119.279 -0.391 . . . . 25.0 111.626 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.25 -39.08 81.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.321 0.581 . . . . 25.0 110.129 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.531 . . . . 25.0 111.005 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -63.56 -37.65 88.14 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.356 . . . . 25.0 111.96 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.6 mt -61.07 -15.4 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 114.131 1.159 . . . . 25.0 114.131 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -60.02 -11.87 6.8 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.85 -1.156 . . . . 25.0 113.649 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -81.07 -22.23 39.4 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 122.063 -0.398 . . . . 25.0 111.12 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -75.84 89.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -98.25 4.27 48.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.121 0.486 . . . . 25.0 110.621 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.41 -29.69 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.179 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -147.05 120.11 8.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.039 0.447 . . . . 25.0 110.202 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -70.05 -26.67 64.13 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.823 1.416 . . . . 25.0 114.823 -174.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.07 -32.95 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.423 0.63 . . . . 25.0 111.195 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.14 -40.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 121.892 -0.505 . . . . 25.0 110.62 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 ptp -71.01 -30.8 67.13 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 119.234 -0.987 . . . . 25.0 110.326 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.13 -46.46 77.43 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.942 0.401 . . . . 25.0 110.535 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -64.67 -45.59 86.08 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.014 -0.429 . . . . 25.0 110.594 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 57.2 p -68.52 -35.23 77.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 5.6 t -72.97 -31.97 64.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.99 0.814 . . . . 25.0 110.181 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -65.69 -42.59 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.13 -43.36 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.315 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -55.48 -40.73 72.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.935 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -71.28 -31.67 67.75 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.82 -38.0 82.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.647 -0.658 . . . . 25.0 110.19 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -85.26 10.51 12.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -76.87 39.91 0.23 Allowed 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 -177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 55.79 45.31 24.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.499 1.12 . . . . 25.0 112.76 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 119.031 2.975 . . . . 25.0 119.031 173.353 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 124.222 1.963 . . . . 25.0 114.669 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -157.96 34.97 0.53 Allowed Glycine 0 C--N 1.347 1.156 0 O-C-N 120.175 -1.578 . . . . 25.0 112.042 -179.332 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -102.29 166.56 10.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.609 0.242 . . . . 25.0 110.88 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 49.6 m -79.72 143.99 34.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.992 0.368 . . . . 25.0 111.992 -178.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -134.76 139.03 44.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 -177.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 13.3 t -157.35 146.65 20.09 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 121.232 0.539 . . . . 25.0 112.336 178.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -121.61 19.7 11.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 38.0 p -57.5 -43.3 84.06 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.719 1.378 . . . . 25.0 114.719 -170.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -166.13 117.28 1.02 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 105.507 -2.034 . . . . 25.0 105.507 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.39 -19.69 1.08 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 175.593 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -136.21 146.75 18.74 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -28.24 36.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.509 0.671 . . . . 25.0 111.591 -178.005 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.45 -32.13 42.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.465 -1.243 . . . . 25.0 109.141 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.62 -37.88 77.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 122.419 1.104 . . . . 25.0 110.051 176.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -74.65 91.46 2.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.69 -1.141 . . . . 25.0 110.008 -179.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 125.0 2.333 . . . . 25.0 115.079 176.775 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.6 tpt . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.51 -41.83 66.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.778 1.231 . . . . 25.0 110.909 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.6 m -65.09 -29.82 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -77.61 -40.48 41.86 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 177.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 178.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -60.43 -43.39 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.005 0.366 . . . . 25.0 111.181 173.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -39.71 95.11 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.905 -0.318 . . . . 25.0 111.158 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.14 -43.33 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -58.85 -42.88 90.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.009 -0.432 . . . . 25.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.71 96.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.01 -41.69 99.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.59 -44.4 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.845 -0.535 . . . . 25.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -62.75 -34.08 76.48 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.43 -0.508 . . . . 25.0 112.146 179.312 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -88.41 -11.12 46.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.689 0.625 . . . . 25.0 112.689 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 89.4 p -77.51 -30.74 53.12 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.53 -0.732 . . . . 25.0 111.198 -178.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.71 63.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -111.38 152.79 26.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.12 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 -174.687 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.54 -32.88 73.9 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -172.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -161.12 94.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.06 117.99 22.67 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.79 -0.764 . . . . 25.0 112.265 -175.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -100.81 83.0 2.48 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.503 -175.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.5 t -53.29 -46.54 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 25.0 112.707 -177.321 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -68.77 -36.43 78.32 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.452 HH21 ' CD ' ' B' ' 375' ' ' GLU . 2.1 mmp_? -63.07 -32.33 73.68 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.554 -0.458 . . . . 25.0 110.616 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.7 -47.06 82.67 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.805 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.43 -44.84 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 375' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 372' ' ' ARG . 47.8 mt-10 -61.67 -44.67 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.504 0.193 . . . . 25.0 111.483 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.052 -0.405 . . . . 25.0 111.006 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.14 -41.17 90.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 178.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -69.86 -33.66 72.56 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.56 -46.53 89.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.271 -1.011 . . . . 25.0 108.271 174.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -30.89 69.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 25.0 111.043 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.89 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 177.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 17.4 m -80.27 -24.34 40.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -177.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.15 110.51 16.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.275 0.56 . . . . 25.0 111.532 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -79.32 74.99 5.91 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 174.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.33 156.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 55.1 p -77.1 161.25 28.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.083 0.468 . . . . 25.0 110.685 -177.216 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -65.66 -29.43 69.99 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.831 -0.543 . . . . 25.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 8.1 pm0 -71.96 -25.34 61.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.926 -0.484 . . . . 25.0 111.236 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.11 -33.78 63.7 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.262 -0.899 . . . . 25.0 108.987 175.135 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.61 78.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 175.045 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.68 -36.79 84.67 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.272 0.558 . . . . 25.0 110.96 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.91 -28.63 68.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.031 0.443 . . . . 25.0 111.299 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -116.34 47.89 1.35 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 25.0 110.89 -177.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 54.0 m -67.74 -26.18 66.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 176.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -59.81 -39.58 85.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 25.0 110.216 175.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 63.1 ttp -64.61 -27.53 69.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.951 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.33 -35.79 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.9 m -65.93 -39.67 90.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 173.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 26.5 m -59.07 -46.39 88.39 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.322 -0.236 . . . . 25.0 110.955 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 77.5 mt -59.93 -38.57 82.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.296 0.57 . . . . 25.0 110.966 176.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -33.03 74.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.847 -178.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -67.0 -42.12 85.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.908 0.322 . . . . 25.0 111.196 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 27.3 mt -61.78 -16.4 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -172.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -58.84 -13.84 7.28 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.777 -1.202 . . . . 25.0 113.094 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -12.06 46.15 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -74.55 75.98 1.97 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.302 1.049 . . . . 25.0 110.037 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -85.07 0.71 50.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.146 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.85 -21.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 123.758 0.661 . . . . 25.0 109.854 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.5 t -140.02 120.2 13.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 172.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 410' ' ' GLN . . . . . 0.435 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 7.0 mp0 -66.21 -31.58 72.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.068 -0.253 . . . . 25.0 111.048 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.92 -36.97 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.316 0.579 . . . . 25.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.26 -46.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.985 -1.072 . . . . 25.0 109.788 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 413' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 29.0 ptm -69.64 -30.79 68.58 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 119.092 -1.043 . . . . 25.0 111.665 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.78 -39.86 66.4 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.3 -0.875 . . . . 25.0 111.318 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.78 -44.63 73.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.901 -0.499 . . . . 25.0 109.992 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 33.1 p -62.67 -37.15 85.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.088 -0.645 . . . . 25.0 110.4 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -66.66 -40.08 88.46 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.991 -0.443 . . . . 25.0 110.923 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.96 -43.23 99.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.01 0.433 . . . . 25.0 110.807 177.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.46 -38.2 83.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.008 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.84 -36.05 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.95 -34.64 68.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.204 0.601 . . . . 25.0 112.074 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -107.57 16.97 23.24 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -80.34 41.46 0.54 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -178.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 41.4 t30 56.5 57.18 5.03 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 122.779 1.276 . . . . 25.0 111.63 -177.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.918 0 CA-C-O 123.901 1.81 . . . . 25.0 114.791 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 124.328 2.013 . . . . 25.0 115.277 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 177.15 175.66 44.62 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 108.88 -1.688 . . . . 25.0 108.88 -178.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.94 149.8 47.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.2 0.5 . . . . 25.0 109.963 179.152 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 67.9 m -145.13 138.74 26.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 25.0 111.655 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -77.74 147.16 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.699 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 59.5 p -134.83 152.49 51.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 175.321 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -106.5 24.5 12.49 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.912 0.485 . . . . 25.0 110.543 -177.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 19.5 t -33.36 91.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 118.813 2.894 . . . . 25.0 118.813 -168.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1397 ' ' PHE . . . . . 0.425 ' HE2' HD13 ' B' ' 363' ' ' LEU . 26.8 t80 -77.24 -6.37 52.84 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.914 0.864 . . . . 25.0 110.722 173.26 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.06 75.23 2.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.338 -0.846 . . . . 25.0 108.983 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 136.03 87.59 0.23 Allowed Glycine 0 C--O 1.219 -0.838 0 N-CA-C 110.488 -1.045 . . . . 25.0 110.488 -174.313 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.38 123.57 17.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 25.0 111.222 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -122.95 178.85 4.87 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 176.151 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -119.19 172.59 7.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 178.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 70.87 -21.26 0.2 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.551 1.686 . . . . 25.0 115.551 -178.035 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.412 0 CA-C-O 125.394 2.521 . . . . 25.0 113.052 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -28.85 70.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 120.839 -1.163 . . . . 25.0 112.111 -177.43 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -30.24 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -73.22 -38.35 66.08 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.25 -36.42 84.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.447 -0.158 . . . . 25.0 110.689 178.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.45 -42.97 99.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.711 -0.478 . . . . 25.0 109.711 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.23 -40.63 86.38 Favored 'General case' 0 C--O 1.209 -1.039 0 C-N-CA 121.063 -0.255 . . . . 25.0 111.47 178.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.1 -43.99 98.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.556 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 177.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.63 -41.06 94.11 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.635 -0.666 . . . . 25.0 111.379 178.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.12 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.64 -35.55 80.89 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.827 0.451 . . . . 25.0 111.221 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.29 -44.85 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 176.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -63.85 -30.66 71.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.338 -0.851 . . . . 25.0 110.354 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.35 -12.16 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 96.6 p -94.0 -22.39 18.58 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.429 1.27 . . . . 25.0 114.429 -177.083 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.431 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 1.3 mp -115.48 23.06 12.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.783 0.801 . . . . 25.0 110.558 -179.718 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -81.0 157.88 25.35 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.671 -0.695 . . . . 25.0 109.603 175.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 49.2 pt -69.89 -21.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.43 -37.49 56.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.987 1.106 . . . . 25.0 113.987 -172.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.83 72.16 0.77 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.306 -1.368 . . . . 25.0 107.306 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.4 OUTLIER -72.36 128.9 37.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 25.0 109.832 -177.6 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -136.8 110.22 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 25.0 110.381 -179.184 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.38 -44.8 97.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.439 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.124 -0.36 . . . . 25.0 111.237 -176.067 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -57.07 -39.32 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.078 0.466 . . . . 25.0 110.619 178.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.92 -43.33 88.44 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.356 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.72 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.76 -39.38 87.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.61 0.226 . . . . 25.0 111.61 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.76 90.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.636 0.731 . . . . 25.0 110.081 177.585 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.51 -33.03 72.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.879 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.11 -32.49 63.22 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.071 -0.393 . . . . 25.0 112.006 -178.554 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.24 -40.76 95.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.853 0.835 . . . . 25.0 108.964 172.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -27.68 66.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 25.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.03 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.271 -0.268 . . . . 25.0 110.601 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 47.1 t -81.65 -32.79 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 25.0 111.235 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.4 135.2 52.81 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -81.85 72.55 8.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.456 -0.793 . . . . 25.0 110.612 177.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.38 119.85 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.9 p -74.24 162.88 28.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 23.2 ptp -63.31 -30.14 71.33 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.561 -0.455 . . . . 25.0 111.201 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.44 -35.26 75.5 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.234 0.54 . . . . 25.0 110.548 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -70.75 -36.3 73.05 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.473 -0.767 . . . . 25.0 109.592 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.9 90.01 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 176.293 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.59 -38.48 91.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.293 0.568 . . . . 25.0 110.96 177.438 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.16 -36.01 64.07 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.302 0.573 . . . . 25.0 111.59 179.091 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -109.72 44.91 1.13 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.095 0.474 . . . . 25.0 110.589 -175.025 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 32.8 m -69.5 -21.57 63.67 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -177.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.18 -31.73 73.03 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.368 0.604 . . . . 25.0 111.998 175.251 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -69.73 -34.26 73.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 175.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 39.3 mm -68.37 -31.93 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.2 m -63.38 -47.0 83.86 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.736 -0.602 . . . . 25.0 109.608 174.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 28.4 m -63.56 -40.97 98.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.812 0.339 . . . . 25.0 110.948 177.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.48 -36.09 75.35 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.718 0.807 . . . . 25.0 111.442 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -63.6 -38.62 91.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.921 176.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.77 -31.98 65.28 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -174.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.431 ' H ' HG13 ' B' ' 403' ' ' ILE . 0.9 OUTLIER -61.11 -19.32 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-O 121.359 0.599 . . . . 25.0 112.169 -177.884 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -68.32 -11.12 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.632 -0.667 . . . . 25.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -83.53 -5.84 59.28 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.369 -0.207 . . . . 25.0 111.241 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.04 68.82 4.16 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.704 0.764 . . . . 25.0 108.976 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.04 -18.97 60.67 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -169.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.92 -16.12 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.203 0.446 . . . . 25.0 112.203 -177.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -129.09 116.52 19.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 122.042 0.925 . . . . 25.0 112.705 176.135 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.38 -36.81 68.8 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.364 -0.834 . . . . 25.0 112.584 -178.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.73 -37.7 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.609 -0.682 . . . . 25.0 110.897 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.66 -46.55 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.115 -0.366 . . . . 25.0 110.727 178.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.98 -30.05 68.39 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 119.753 -0.779 . . . . 25.0 110.499 -178.151 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.43 -49.86 56.86 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.021 -0.272 . . . . 25.0 111.161 176.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -61.05 -42.96 99.47 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.141 0.496 . . . . 25.0 110.433 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 25.0 p -69.17 -34.71 75.36 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.424 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.3 m -67.67 -40.14 84.48 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.604 -0.685 . . . . 25.0 110.238 176.196 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.7 ttp -59.97 -44.36 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.57 -38.88 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.811 0.338 . . . . 25.0 111.171 177.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -39.57 87.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.52 -34.76 70.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.126 0.489 . . . . 25.0 111.806 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.25 -32.6 73.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.706 0.403 . . . . 25.0 110.878 178.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.42 21.05 17.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -72.33 39.99 0.08 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.73 56.18 8.23 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.695 1.236 . . . . 25.0 112.594 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.211 -0.942 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 123.638 1.685 . . . . 25.0 115.074 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 120.48 0.25 12.48 Favored Glycine 0 C--N 1.354 1.567 0 O-C-N 120.57 -1.331 . . . . 25.0 114.846 176.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -85.95 18.6 2.92 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 16.2 m -101.57 156.49 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -138.9 169.73 17.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 44.0 p -132.5 103.39 6.14 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -86.4 69.55 10.42 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.716 -0.615 . . . . 25.0 112.355 176.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.7 m 61.52 177.94 0.12 Allowed 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 116.485 2.031 . . . . 25.0 116.485 175.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 6.4 t80 58.45 65.89 1.18 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.793 1.775 . . . . 25.0 115.793 177.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.78 126.07 51.75 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 88.11 14.04 63.1 Favored Glycine 0 CA--C 1.51 -0.27 0 C-N-CA 120.572 -0.823 . . . . 25.0 111.71 -177.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.7 -160.14 0.27 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.088 0.555 . . . . 25.0 109.875 -176.429 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -139.89 144.28 37.11 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.335 -1.728 . . . . 25.0 106.335 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.4 tt0 57.24 43.09 24.28 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 122.012 0.91 . . . . 25.0 111.02 176.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -72.74 151.28 42.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.247 -0.888 . . . . 25.0 109.255 178.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 124.722 2.201 . . . . 25.0 112.724 178.496 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.73 -51.54 68.44 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 120.753 -1.217 . . . . 25.0 111.076 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -64.96 -27.95 69.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.936 0.398 . . . . 25.0 111.937 -178.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.07 -45.39 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.034 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -41.54 87.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 25.0 109.993 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.29 -38.57 89.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.386 -0.196 . . . . 25.0 111.116 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -62.93 -41.96 99.64 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.263 -0.273 . . . . 25.0 111.095 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.98 -44.78 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 356' ' ' HIS . . . . . 0.444 ' HD2' HG21 ' B' ' 399' ' ' THR . 62.5 m80 -65.44 -27.57 68.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.746 -0.596 . . . . 25.0 112.414 178.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.97 89.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.48 -36.27 78.72 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.63 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.061 -1.025 . . . . 25.0 110.472 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.644 -0.66 . . . . 25.0 110.594 176.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.16 -31.37 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.697 0.628 . . . . 25.0 112.697 178.04 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.1 p -81.96 -13.46 57.43 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -172.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.6 mt -120.82 25.72 9.52 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.732 0.696 . . . . 25.0 110.399 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -79.56 170.18 16.94 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.521 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.55 -33.4 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -40.1 87.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -172.661 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -168.44 137.5 2.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.364 -2.828 . . . . 25.0 103.364 178.052 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.11 143.83 46.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.782 0.719 . . . . 25.0 110.562 -176.552 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -124.15 103.05 8.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.126 0.965 . . . . 25.0 109.569 -172.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.11 -43.63 81.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.399 -1.273 . . . . 25.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.65 -39.49 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.24 -0.288 . . . . 25.0 111.441 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -60.25 -39.21 85.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.17 -42.77 99.45 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.487 -0.485 . . . . 25.0 110.552 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.15 -47.32 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.07 -42.92 99.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 25.0 110.9 -179.067 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.14 88.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 25.0 111.204 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.81 -38.61 89.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 177.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -74.86 -26.95 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.68 -44.08 85.53 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 171.225 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -26.94 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.519 -0.764 . . . . 25.0 111.887 -178.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.54 69.56 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 176.3 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 32.4 t -79.29 -32.26 43.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.029 0.443 . . . . 25.0 110.157 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 69.7 mt -63.62 131.67 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.144 0.973 . . . . 25.0 111.307 178.182 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -83.16 71.2 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.864 -1.062 . . . . 25.0 109.479 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.04 123.17 30.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 43.9 p -78.67 163.73 25.2 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -178.009 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.4 ptp -62.32 -31.42 72.03 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.845 -0.534 . . . . 25.0 112.097 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.49 -37.71 74.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.285 0.564 . . . . 25.0 109.928 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -69.83 -38.31 76.5 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.99 90.32 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.07 -0.394 . . . . 25.0 110.287 177.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -64.17 -42.72 96.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 25.0 110.64 177.305 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -66.97 -35.94 81.08 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.471 0.653 . . . . 25.0 109.802 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -97.15 54.99 1.26 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.89 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 91.1 m -66.65 -20.42 65.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.327 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.8 -35.75 71.25 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.64 172.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 29.5 ttp -66.7 -39.64 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.859 -0.525 . . . . 25.0 109.797 177.607 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.01 -42.71 97.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.7 m -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.127 177.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 399' ' ' THR . . . . . 0.444 HG21 ' HD2' ' B' ' 356' ' ' HIS . 33.7 m -65.1 -45.1 86.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.205 -0.309 . . . . 25.0 111.222 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.0 -36.41 81.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 25.0 110.963 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -58.7 -38.35 78.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 25.0 111.491 177.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.01 -46.44 74.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.932 0.396 . . . . 25.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.8 -18.07 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 25.0 112.065 -173.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.03 -10.99 11.44 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.223 -0.923 . . . . 25.0 112.964 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.97 -20.26 42.3 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 122.23 -0.294 . . . . 25.0 111.462 174.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -78.37 101.74 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -105.54 -7.78 18.41 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -12.04 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -176.411 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.1 m -142.12 120.0 11.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 167.385 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.63 -30.91 71.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.435 0.636 . . . . 25.0 110.819 -177.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.47 -40.45 84.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.716 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.06 -47.24 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 122.031 -0.418 . . . . 25.0 111.669 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.3 ptm -65.9 -30.07 70.6 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -78.96 -39.73 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 177.451 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.7 -44.53 96.01 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.264 -0.897 . . . . 25.0 108.754 175.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.1 p -65.29 -37.05 85.96 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.451 -0.5 . . . . 25.0 111.982 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.2 t -73.94 -30.86 62.77 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.891 0.768 . . . . 25.0 111.194 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.9 ttp -64.35 -45.47 87.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 176.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.676 0.274 . . . . 25.0 110.691 177.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -58.0 -44.56 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.86 -35.35 74.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 178.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -60.16 -30.9 69.63 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.151 0.58 . . . . 25.0 111.522 179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -106.96 7.47 29.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -78.86 39.95 0.38 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.566 0.747 . . . . 25.0 112.811 -178.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -42.01 97.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.242 1.02 . . . . 25.0 109.038 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 124.576 2.131 . . . . 25.0 112.837 177.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.502 2.17 0 CA-C-O 123.576 1.655 . . . . 25.0 114.98 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -106.96 16.75 39.09 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.181 -1.574 . . . . 25.0 113.851 -176.184 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.24 119.46 10.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.109 0.481 . . . . 25.0 110.22 -178.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 56.3 p -164.65 167.59 18.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -69.77 94.37 0.81 Allowed 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.436 0.636 . . . . 25.0 111.365 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 25.1 m -130.98 92.27 3.19 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -174.028 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.11 6.7 7.45 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.143 0.497 . . . . 25.0 111.242 174.327 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 19.2 m 57.32 -154.01 0.36 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.863 0.865 . . . . 25.0 113.285 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 2.6 t80 -138.15 107.81 6.24 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 -176.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -144.56 84.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.38 17.66 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 121.036 -0.602 . . . . 25.0 112.361 -178.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.36 144.69 21.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.754 -1.573 . . . . 25.0 106.754 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 55.52 32.34 18.86 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.376 1.047 . . . . 25.0 110.292 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -82.67 153.9 25.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.002 -0.999 . . . . 25.0 110.188 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -84.09 77.9 9.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 176.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 19.5 t0 . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 123.911 1.815 . . . . 25.0 113.447 -175.692 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 115.973 1.842 . . . . 25.0 115.973 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.15 -34.92 77.29 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 120.606 -1.309 . . . . 25.0 112.469 -176.258 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -59.38 -31.1 68.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.871 -0.518 . . . . 25.0 112.134 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.24 60.4 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.29 -41.25 81.26 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -176.222 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.86 -32.45 73.72 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.425 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -62.76 -43.13 99.6 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 177.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -44.76 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.288 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -59.23 -40.85 87.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.342 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.78 90.59 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.36 -0.213 . . . . 25.0 111.167 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.9 -40.1 87.63 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.74 -0.384 . . . . 25.0 109.982 178.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.97 -39.25 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.694 -0.629 . . . . 25.0 110.93 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -65.59 -19.63 65.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -98.99 -35.78 9.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.281 0.562 . . . . 25.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 81.1 p -75.78 6.15 5.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 116.449 2.018 . . . . 25.0 116.449 -173.009 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.4 mt -137.24 21.34 2.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.372 0.606 . . . . 25.0 110.565 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.13 163.87 27.16 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 18.5 tt -71.75 -36.7 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -175.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.73 -44.93 15.05 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -171.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -166.78 144.87 5.12 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 105.217 -2.142 . . . . 25.0 105.217 175.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 152.72 39.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.75 92.87 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.851 175.443 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.68 -47.3 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 120.937 0.398 . . . . 25.0 112.053 -176.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -67.15 -36.81 82.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -174.454 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -63.23 -30.57 71.69 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.375 -0.53 . . . . 25.0 111.097 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 3.8 t -65.98 -41.06 91.62 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.402 176.662 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.1 -40.83 90.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.94 -44.13 73.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 25.0 111.225 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.8 87.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.159 0.504 . . . . 25.0 111.096 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.34 -31.13 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.204 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.6 0.714 . . . . 25.0 110.389 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.5 -39.14 92.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.693 . . . . 25.0 109.619 178.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -36.63 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.405 . . . . 25.0 110.511 179.192 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.36 67.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.537 -0.301 . . . . 25.0 111.315 -179.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 33.3 m -84.05 -13.85 52.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.16 141.76 33.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.701 . . . . 25.0 112.492 -178.568 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.19 63.43 5.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.341 -0.845 . . . . 25.0 110.763 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.11 112.52 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.5 p -70.96 158.08 37.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 25.0 109.733 -177.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -33.84 72.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.514 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -67.14 -37.71 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.415 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -67.36 -42.93 82.66 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 178.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.15 85.24 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.689 0.28 . . . . 25.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -40.93 98.86 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.798 178.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -78.97 -32.62 45.39 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.152 0.501 . . . . 25.0 111.793 -178.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -89.35 48.74 1.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 25.0 110.241 -176.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.2 m -62.4 -24.49 67.42 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.192 0.996 . . . . 25.0 111.489 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -43.02 99.44 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.636 177.609 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.1 ttp -65.35 -34.26 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.718 -0.614 . . . . 25.0 110.451 177.704 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.14 -38.22 81.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.7 m -67.64 -39.84 84.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.403 177.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.1 m -60.47 -49.08 79.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.066 -0.397 . . . . 25.0 110.485 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.04 -37.22 79.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.229 0.538 . . . . 25.0 110.951 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.63 -37.14 85.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 25.0 111.527 177.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -68.35 -39.13 81.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -178.165 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.83 -18.09 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -171.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -53.67 -19.79 4.5 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -84.13 -9.38 58.63 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.26 85.22 1.41 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -176.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -74.41 -11.65 60.3 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.561 1.319 . . . . 25.0 114.561 -176.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.36 -31.27 52.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.92 -0.488 . . . . 25.0 110.979 -176.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.4 t -145.45 120.11 9.82 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.091 0.472 . . . . 25.0 109.829 174.165 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.38 -32.24 71.14 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.509 -178.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.3 -37.68 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.706 0.765 . . . . 25.0 110.805 -178.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.63 -46.43 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.7 ptp -69.28 -30.95 69.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.619 -0.832 . . . . 25.0 110.704 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.9 -48.72 70.52 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.2 -0.312 . . . . 25.0 110.622 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.09 -35.18 79.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.791 178.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.2 m -65.34 -41.49 93.85 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.639 178.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 60.6 m -68.38 -38.97 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.6 ttp -59.07 -48.49 81.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 177.097 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.34 -44.25 92.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.801 0.334 . . . . 25.0 111.353 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.35 -45.05 84.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.747 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 -33.42 69.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.807 0.299 . . . . 25.0 111.807 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.26 97.11 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 178.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -77.22 -19.48 56.61 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.578 0.585 . . . . 25.0 112.578 -179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -72.47 -21.93 61.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.885 0.328 . . . . 25.0 111.885 176.11 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -81.48 66.27 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.227 1.013 . . . . 25.0 111.674 -177.023 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 C--O 1.213 -0.826 0 CA-C-O 125.271 2.462 . . . . 25.0 112.349 -178.447 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.507 2.399 0 CA-C-O 124.025 1.869 . . . . 25.0 115.596 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -173.33 176.62 45.98 Favored Glycine 0 C--N 1.343 0.935 0 O-C-N 120.117 -1.615 . . . . 25.0 110.298 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -148.56 163.33 37.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 -177.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 17.6 t -159.01 162.06 36.7 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 -179.189 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -156.26 -160.47 1.0 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 106.039 -1.838 . . . . 25.0 106.039 -179.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 29.3 p 62.05 2.26 0.78 Allowed 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 116.251 1.945 . . . . 25.0 116.251 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -64.45 132.59 50.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.312 0.577 . . . . 25.0 110.016 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 49.5 m -139.37 171.89 13.62 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -170.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 6.1 t80 -82.72 118.53 23.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 175.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -114.96 -29.62 6.64 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -152.11 178.01 29.59 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.41 -0.9 . . . . 25.0 113.318 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.67 137.25 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.51 -0.345 . . . . 25.0 110.587 -178.451 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 56.91 28.46 14.65 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 173.606 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -66.28 -15.15 62.99 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 60.44 16.59 6.49 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.96 2.314 . . . . 25.0 112.96 175.882 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 11.7 ttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.47 -42.38 74.26 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.692 1.197 . . . . 25.0 109.933 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.5 m -66.5 -35.11 79.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.181 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.67 -43.71 71.97 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.94 -40.46 96.5 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.7 179.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.554 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.0 tpt85 -68.86 -43.46 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.45 -42.96 94.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -57.01 -45.08 83.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.583 0.353 . . . . 25.0 110.953 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.42 95.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.623 0.249 . . . . 25.0 110.447 178.367 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.82 -43.09 99.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.587 -0.279 . . . . 25.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.85 -43.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.983 -0.448 . . . . 25.0 110.061 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.96 -21.72 66.29 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -101.48 -11.79 19.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.9 p -78.54 -24.14 45.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 19.7 mt -124.56 58.66 1.21 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.765 0.317 . . . . 25.0 111.703 -178.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -102.54 159.92 15.02 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 176.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.36 -17.32 20.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.223 176.043 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.76 -40.0 34.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.487 0.66 . . . . 25.0 110.343 178.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -155.96 125.5 6.32 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 177.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.91 111.23 19.35 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 -179.523 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.91 94.5 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.66 -47.86 72.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.689 -177.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -64.26 -37.7 88.43 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 112.751 0.649 . . . . 25.0 112.751 -178.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -60.12 -39.42 86.19 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 122.104 -0.372 . . . . 25.0 110.279 -177.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.52 -41.3 93.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.035 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.76 -48.36 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.63 -42.06 99.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 25.0 110.49 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.63 96.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.82 0.343 . . . . 25.0 111.012 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.5 mt -67.54 -38.37 84.08 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 122.111 -0.368 . . . . 25.0 110.539 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -74.63 -28.11 60.74 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.817 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.6 -46.36 90.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 171.254 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.23 -37.55 87.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.395 -0.82 . . . . 25.0 110.708 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.37 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -178.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.7 m -83.88 -19.25 35.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.524 0.515 . . . . 25.0 111.498 -177.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.5 mt -77.4 139.92 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.575 0.702 . . . . 25.0 111.404 178.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -82.64 75.18 9.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 174.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.01 109.22 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 68.8 p -71.0 163.53 27.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.298 0.571 . . . . 25.0 111.052 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.2 ptm -57.36 -35.35 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.86 -28.99 63.9 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.811 -0.556 . . . . 25.0 111.457 -179.606 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -74.06 -41.94 60.96 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 178.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.06 89.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.932 -0.395 . . . . 25.0 109.932 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.8 -45.69 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.202 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -72.28 -36.04 68.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.181 0.515 . . . . 25.0 111.873 -177.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -98.74 57.03 1.12 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -27.39 67.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.181 0.991 . . . . 25.0 109.801 -177.158 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.59 -31.65 72.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.624 -1.171 . . . . 25.0 111.383 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.1 ttp -66.04 -34.39 77.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 176.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 19.3 mm -69.66 -38.42 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.9 m -62.86 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.213 -0.292 . . . . 25.0 110.213 175.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.1 m -61.21 -44.93 96.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.275 -0.265 . . . . 25.0 110.927 177.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.47 -37.47 78.28 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.096 0.474 . . . . 25.0 111.253 177.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -61.53 -32.97 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.39 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.72 -43.13 60.04 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -17.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -169.69 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -11.05 8.43 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.628 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -81.07 -11.54 59.48 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 176.6 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -70.42 75.65 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.87 -19.55 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.991 -0.443 . . . . 25.0 111.981 179.006 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.2 OUTLIER -64.57 -18.75 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.67 0.619 . . . . 25.0 112.67 -177.258 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -144.49 119.98 10.35 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.407 -0.96 . . . . 25.0 108.407 171.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.28 -32.27 73.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.493 -0.776 . . . . 25.0 109.147 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.07 -44.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.621 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.34 -46.34 83.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 O-C-N 121.817 -0.552 . . . . 25.0 111.154 -178.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 26.5 ptm -68.06 -32.37 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.715 -0.794 . . . . 25.0 110.657 -178.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.16 -48.1 63.19 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.597 -0.689 . . . . 25.0 111.553 175.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -60.82 -43.53 98.1 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.173 -0.33 . . . . 25.0 110.46 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 45.5 p -68.26 -38.44 81.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.693 -0.403 . . . . 25.0 111.646 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -68.6 -39.9 80.69 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 122.117 -0.365 . . . . 25.0 110.154 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -61.1 -46.37 90.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.95 -44.08 90.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.669 0.271 . . . . 25.0 111.234 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.17 -43.5 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.201 -0.312 . . . . 25.0 111.766 -179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.5 -47.08 87.73 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.72 -37.25 73.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 178.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.94 -37.23 86.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.299 0.24 . . . . 25.0 111.118 179.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.12 -34.73 75.5 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 121.436 0.636 . . . . 25.0 110.136 178.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 56.0 ttp . . . . . 0 C--O 1.209 -1.027 0 CA-C-O 123.151 1.453 . . . . 25.0 114.383 -177.093 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 N--CA 1.499 2.007 0 CA-C-O 124.244 1.973 . . . . 25.0 114.387 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 84.97 -147.12 22.45 Favored Glycine 0 C--N 1.354 1.553 0 O-C-N 119.835 -1.791 . . . . 25.0 112.418 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.75 130.86 44.04 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 177.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 26.0 m -152.65 -60.08 0.15 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 52.99 23.87 3.13 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.86 21.83 6.48 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.978 0.911 . . . . 25.0 112.236 -176.223 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 66.66 -42.06 0.4 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.666 1.586 . . . . 25.0 114.343 -178.045 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 70.5 m -145.98 170.78 15.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.9 107.35 5.24 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -113.45 -15.76 12.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.82 -0.627 . . . . 25.0 109.793 173.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 179.44 161.59 27.11 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 110.339 -1.104 . . . . 25.0 110.339 175.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.62 140.23 37.19 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.253 -1.388 . . . . 25.0 107.253 174.115 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -125.55 125.56 43.4 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 104.128 -2.545 . . . . 25.0 104.128 173.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -114.52 -3.83 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -177.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 56.62 34.18 24.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.622 1.569 . . . . 25.0 112.165 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.212 -0.873 0 CA-C-O 125.217 2.436 . . . . 25.0 111.379 178.402 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.88 -49.96 75.8 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.172 -0.955 . . . . 25.0 108.915 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 27.1 p -61.22 -29.52 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.144 -0.935 . . . . 25.0 112.867 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -73.12 -44.64 59.95 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.332 -0.855 . . . . 25.0 109.43 179.273 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 54.3 mt -62.0 -37.83 86.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.84 -41.61 99.4 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.207 -0.308 . . . . 25.0 111.346 174.163 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -65.06 -39.74 93.71 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 118.025 0.375 . . . . 25.0 111.772 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.66 -40.14 85.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.35 -36.58 82.68 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 111.643 177.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.97 90.48 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.255 -0.278 . . . . 25.0 110.452 177.193 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.96 -42.02 81.53 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.93 -0.396 . . . . 25.0 109.93 177.094 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.3 -38.99 77.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 25.0 110.855 179.494 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -65.91 -22.66 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.151 -0.968 . . . . 25.0 112.803 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -98.6 -15.24 19.55 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.706 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -84.58 -20.98 30.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -173.235 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.489 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.8 mt -116.94 32.99 5.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.079 0.466 . . . . 25.0 109.761 177.767 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -75.73 151.97 37.54 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.526 -0.734 . . . . 25.0 111.032 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.6 pt -72.02 -25.58 24.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.497 -0.319 . . . . 25.0 111.629 176.174 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.74 -31.63 52.28 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -161.27 95.63 1.04 Allowed 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -175.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.1 tt -97.01 113.14 24.65 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 112.94 0.719 . . . . 25.0 112.94 -175.188 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -109.39 96.2 6.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.278 -178.58 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.03 -48.0 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.393 -0.821 . . . . 25.0 111.505 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.34 -30.46 64.76 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.768 -1.207 . . . . 25.0 114.039 -174.364 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -63.97 -33.98 76.95 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.578 177.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.8 t -68.12 -40.95 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.475 176.043 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.8 -43.67 97.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.802 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.06 -41.13 82.46 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.406 -0.517 . . . . 25.0 111.661 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.95 88.77 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.754 -0.591 . . . . 25.0 110.798 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 51.2 mt -72.5 -27.89 62.54 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.341 -0.39 . . . . 25.0 110.952 177.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -76.11 -43.62 42.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 110.965 -179.044 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.13 -24.27 61.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.09 -40.12 60.28 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 174.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.226 0.536 . . . . 25.0 111.942 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.7 m -81.88 -7.0 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.411 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.2 151.23 21.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.992 0.901 . . . . 25.0 111.512 178.465 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -98.07 130.17 44.88 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.592 -2.003 . . . . 25.0 105.592 171.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.59 128.39 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.761 -0.829 . . . . 25.0 108.761 -174.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 30.9 p -82.6 162.84 21.78 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.1 ptp -63.17 -28.98 70.42 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.771 -0.581 . . . . 25.0 111.446 178.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -69.23 -36.55 77.32 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.364 -0.535 . . . . 25.0 111.146 177.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.82 -36.13 64.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 178.66 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.07 83.77 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.81 -0.356 . . . . 25.0 110.055 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -64.22 -37.73 88.54 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.473 0.654 . . . . 25.0 111.374 176.14 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -65.68 -30.03 70.66 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.559 -0.713 . . . . 25.0 111.677 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -115.76 41.24 2.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.865 -175.076 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.4 m -63.98 -24.66 67.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.345 -0.847 . . . . 25.0 109.283 179.197 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.05 -43.31 81.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.491 1.139 . . . . 25.0 110.594 173.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 59.2 ttp -71.36 -35.49 71.16 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.823 -1.08 . . . . 25.0 110.894 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.08 -36.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 67.9 m -65.93 -42.91 89.48 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.086 0.469 . . . . 25.0 109.754 176.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.4 m -59.99 -44.51 94.46 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.046 -0.409 . . . . 25.0 110.972 174.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.48 -37.38 75.41 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.031 -0.418 . . . . 25.0 111.908 176.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -58.63 -35.54 72.67 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 178.206 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.49 -43.42 69.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 25.0 109.951 -178.637 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.59 -17.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.82 -173.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -57.06 -24.34 53.19 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.532 -0.73 . . . . 25.0 111.777 172.208 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -88.08 -9.03 54.6 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.172 0.805 . . . . 25.0 113.172 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.3 108.07 0.3 Allowed 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 177.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -87.77 -20.17 26.52 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -178.156 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.16 -28.75 33.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -169.538 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.0 m -142.92 126.7 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.371 -0.831 . . . . 25.0 112.54 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -64.58 -38.22 90.27 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 114.463 1.283 . . . . 25.0 114.463 -176.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.85 -36.49 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.376 -0.828 . . . . 25.0 109.564 -176.139 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.8 mt -66.87 -45.94 86.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-N 115.728 -0.669 . . . . 25.0 110.363 179.545 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -66.04 -38.17 87.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.329 0.968 . . . . 25.0 111.256 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -69.14 -47.36 65.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.358 . . . . 25.0 111.968 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.63 -35.38 78.82 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.204 -1.56 . . . . 25.0 111.475 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 87.7 p -68.24 -41.89 80.49 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.51 -0.876 . . . . 25.0 112.53 176.875 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 -27.99 63.59 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 119.614 -0.834 . . . . 25.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.1 ttp -62.57 -51.07 68.81 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.3 -39.37 78.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.393 -179.127 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -60.26 -40.94 92.12 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.076 -0.39 . . . . 25.0 110.735 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.16 -37.53 75.24 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.509 -0.476 . . . . 25.0 110.883 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -62.98 -37.88 88.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.866 0.365 . . . . 25.0 111.175 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.36 20.8 18.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -176.356 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -63.13 -17.49 62.4 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -177.231 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -88.01 102.11 14.42 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 171.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.1 mtm . . . . . 0 C--O 1.21 -1.015 0 C-N-CA 126.082 1.753 . . . . 25.0 115.585 -178.596 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.509 2.518 0 N-CA-C 117.411 2.375 . . . . 25.0 117.411 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -136.26 35.27 2.15 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 120.781 -1.199 . . . . 25.0 114.021 -175.197 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -113.37 137.88 50.87 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 122.101 -0.646 . . . . 25.0 110.793 -179.093 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 69.0 p -158.45 152.61 24.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 53.86 39.46 30.41 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.039 0.923 . . . . 25.0 111.416 -177.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 38.5 p -73.85 -22.02 59.91 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.409 -0.807 . . . . 25.0 112.414 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -88.33 27.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.455 0.645 . . . . 25.0 109.815 178.478 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 6.6 t -86.91 -165.14 1.2 Allowed 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.88 98.83 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.026 1.121 . . . . 25.0 114.026 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.3 t80 -135.99 -4.83 2.17 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 175.334 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -147.24 14.36 1.46 Allowed Glycine 0 C--O 1.229 -0.183 0 N-CA-C 114.881 0.713 . . . . 25.0 114.881 -179.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 57.57 37.49 27.58 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 122.234 1.016 . . . . 25.0 110.392 -174.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -61.57 153.09 28.64 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.867 -1.515 . . . . 25.0 113.366 -173.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.36 -2.48 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 170.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -99.08 152.04 20.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 123.947 1.832 . . . . 25.0 110.704 179.184 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -57.31 -43.12 83.01 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 114.587 -1.188 . . . . 25.0 111.242 175.707 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.7 p -61.26 -35.29 76.88 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.224 -0.444 . . . . 25.0 111.713 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.93 -40.47 75.49 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 122.237 -0.29 . . . . 25.0 110.277 178.317 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.82 -41.45 97.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.734 0.302 . . . . 25.0 111.028 179.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -68.58 -39.48 80.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.727 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -62.91 -44.6 95.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.771 -179.586 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.97 -44.38 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.817 -0.438 . . . . 25.0 109.817 -177.46 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -70.86 -26.26 63.18 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.067 -1.02 . . . . 25.0 112.771 179.234 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.05 89.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.52 -0.919 . . . . 25.0 108.52 174.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -66.5 -39.91 88.94 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.385 177.558 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 90.2 mt -61.18 -41.71 90.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.908 -0.495 . . . . 25.0 109.99 177.028 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.43 -38.37 80.48 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.125 -0.36 . . . . 25.0 110.61 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -85.52 -23.81 27.56 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -175.474 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 84.0 p -73.69 -20.98 60.39 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.049 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 49.5 mt -113.23 28.55 8.7 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -95.67 158.18 15.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.85 -0.613 . . . . 25.0 109.966 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.9 pt -66.74 -11.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 176.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -38.9 89.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -173.28 96.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -177.533 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.12 114.89 15.29 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -178.116 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -123.65 96.22 4.88 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.991 0.901 . . . . 25.0 110.478 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.04 -41.58 91.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.233 -178.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.25 -50.75 71.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.753 -178.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.86 -36.51 74.72 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -175.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.8 t -63.26 -41.45 99.05 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.871 178.232 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.28 -42.05 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.692 -0.63 . . . . 25.0 109.909 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.79 -45.03 95.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.041 0.448 . . . . 25.0 110.099 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.33 93.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.616 0.722 . . . . 25.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.33 -36.82 85.2 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.786 -0.571 . . . . 25.0 111.047 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -71.19 -36.99 72.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.462 0.649 . . . . 25.0 110.839 -179.172 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.042 -0.411 . . . . 25.0 110.117 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.23 -28.96 62.46 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 121.096 -1.003 . . . . 25.0 110.958 178.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.01 65.1 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 122.11 -0.369 . . . . 25.0 111.001 177.532 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 56.1 m -84.21 -10.0 58.06 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 177.398 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 148.29 22.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 -176.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.63 83.64 7.83 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.941 178.087 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 56.3 t -81.5 114.4 22.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 52.3 p -83.14 166.87 18.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -177.553 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 92.4 mtp -55.77 -42.24 75.2 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.49 -40.54 80.88 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.396 -0.521 . . . . 25.0 111.163 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.33 -38.33 90.72 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.163 -0.336 . . . . 25.0 110.136 178.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 120.821 0.343 . . . . 25.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -71.64 -34.41 69.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.0 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -70.49 -25.72 63.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.182 -0.324 . . . . 25.0 110.907 -179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.05 43.66 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -176.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.9 m -66.41 -19.92 65.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.699 1.238 . . . . 25.0 110.539 178.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -65.22 -38.37 90.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.425 -0.797 . . . . 25.0 110.477 174.308 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -72.29 -29.18 63.63 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 179.213 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 51.6 mm -69.85 -34.97 62.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.9 m -64.21 -40.16 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.349 0.595 . . . . 25.0 109.532 175.525 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.4 m -63.23 -44.33 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.83 175.136 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -36.42 75.23 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 121.902 0.858 . . . . 25.0 111.078 178.734 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.9 -26.87 65.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.056 -178.004 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.2 -35.49 73.96 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.76 -0.588 . . . . 25.0 111.266 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.43 HG13 ' H ' ' B' ' 403' ' ' ILE . 1.1 mt -62.03 -13.21 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 114.118 1.155 . . . . 25.0 114.118 -177.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -62.56 -13.91 36.38 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.923 -1.111 . . . . 25.0 111.737 178.067 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -89.0 -9.8 50.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.5 89.7 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.386 1.088 . . . . 25.0 110.667 -179.449 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -80.34 -16.44 54.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.003 0.921 . . . . 25.0 113.127 -175.038 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -24.33 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 -175.41 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -143.02 116.91 9.34 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.738 0.78 . . . . 25.0 110.184 176.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -69.48 -27.98 65.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.962 -178.417 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -39.14 81.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 -47.11 89.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.164 -0.615 . . . . 25.0 110.808 179.371 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.9 -29.81 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.073 -0.651 . . . . 25.0 110.684 -177.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -69.43 -45.94 67.95 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.07 -0.393 . . . . 25.0 110.339 176.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -61.05 -38.03 84.74 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.449 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -66.02 -41.82 90.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 25.0 110.701 179.061 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 83.0 m -67.56 -38.53 84.26 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.979 0.419 . . . . 25.0 110.545 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.31 -48.53 81.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 25.0 110.724 176.089 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.43 -39.63 89.05 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.129 -0.357 . . . . 25.0 111.893 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.61 -40.69 97.55 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.962 -0.385 . . . . 25.0 109.962 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.55 -45.66 89.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.054 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.52 -40.08 85.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.493 0.663 . . . . 25.0 110.536 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.474 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -69.65 -2.73 12.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 114.322 1.231 . . . . 25.0 114.322 -176.147 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.19 -23.33 67.27 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 122.046 0.927 . . . . 25.0 109.734 174.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.21 -0.981 0 CA-C-O 122.653 1.216 . . . . 25.0 114.069 179.735 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 7.5 mp0 . . . . . 0 N--CA 1.507 2.395 0 N-CA-C 115.051 1.5 . . . . 25.0 115.051 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 79.53 19.45 71.2 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.435 -1.416 . . . . 25.0 115.13 175.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.56 63.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 8.0 t 54.29 26.96 7.36 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 177.191 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.4 -13.55 60.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.722 0.773 . . . . 25.0 111.857 -179.345 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 31.2 p -66.35 -5.61 11.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 179.327 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.34 -30.94 71.53 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 173.408 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.0 p 61.18 -171.12 0.15 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 118.096 2.628 . . . . 25.0 118.096 168.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1397 ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 5.9 t80 -105.19 -37.12 7.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.907 -1.042 . . . . 25.0 112.207 -175.505 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -24.49 -91.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 117.463 2.394 . . . . 25.0 117.463 -160.045 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.27 52.41 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.596 -0.812 . . . . 25.0 112.796 -179.636 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.87 30.94 20.46 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.004 0.921 . . . . 25.0 111.675 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.48 138.12 52.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 101.126 -3.657 . . . . 25.0 101.126 168.367 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.58 35.4 20.86 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.303 1.049 . . . . 25.0 111.604 -173.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -151.48 81.44 1.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.748 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 124.319 2.009 . . . . 25.0 113.063 179.089 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.506 2.358 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -58.77 -34.86 71.9 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.117 -0.989 . . . . 25.0 111.612 -179.07 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 15.2 m -60.32 -32.77 71.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.11 69.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 176.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.35 -38.84 91.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.947 -177.671 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -62.85 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.341 -0.224 . . . . 25.0 110.847 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -63.31 -40.08 96.35 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.19 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.25 -42.41 84.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -60.75 -38.5 85.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.741 -0.6 . . . . 25.0 110.527 178.266 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.78 97.14 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.642 0.258 . . . . 25.0 110.582 177.462 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.95 -40.02 95.48 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 120.639 0.257 . . . . 25.0 110.532 178.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.91 -35.82 76.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.224 -0.923 . . . . 25.0 110.254 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -71.65 -15.39 62.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.947 -0.47 . . . . 25.0 112.02 177.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -101.06 -34.99 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.0 p -76.38 -7.15 54.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 115.412 1.634 . . . . 25.0 115.412 -171.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.41 28.04 5.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.275 0.489 . . . . 25.0 111.649 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -69.56 169.29 12.93 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 60.4 mt -72.43 -49.55 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.134 -177.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.34 -39.88 81.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -172.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -159.68 143.43 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 179.225 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.96 155.52 42.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.525 0.148 . . . . 25.0 111.396 -176.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -129.6 114.19 15.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.09 0.948 . . . . 25.0 111.016 -178.131 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.43 -44.29 98.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.056 -0.974 . . . . 25.0 111.733 -177.085 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.28 -44.21 84.18 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.991 -0.443 . . . . 25.0 110.983 -174.339 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -62.69 -32.37 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.014 -178.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.46 -42.36 83.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.791 -0.568 . . . . 25.0 110.944 175.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.79 -43.86 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.12 -41.99 99.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.949 0.404 . . . . 25.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.43 91.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 25.0 110.007 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 55.1 mt -68.02 -36.19 79.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.129 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.5 -39.65 81.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.978 0.418 . . . . 25.0 111.073 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.39 -40.01 92.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.443 0.639 . . . . 25.0 110.374 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -22.67 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.664 -0.648 . . . . 25.0 111.285 179.712 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.55 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 175.636 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.0 t -80.75 -33.13 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 25.0 111.663 -177.557 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.78 137.14 57.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.237 0.541 . . . . 25.0 112.458 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -77.96 127.13 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 172.295 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.73 132.27 50.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -177.309 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 62.7 p -86.6 162.72 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.099 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -32.91 72.71 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -29.17 60.44 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.818 -0.551 . . . . 25.0 111.939 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.46 -36.88 74.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 173.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.81 91.51 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.06 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.27 -38.14 89.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.8 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -67.01 -24.58 66.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.721 0.296 . . . . 25.0 110.893 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.28 44.18 1.6 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.154 0.582 . . . . 25.0 110.453 178.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 92.7 m -64.94 -25.51 67.91 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.08 -37.78 80.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.836 0.827 . . . . 25.0 111.681 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.9 ttp -70.72 -28.52 64.79 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.645 -0.659 . . . . 25.0 109.719 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.35 -36.95 77.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.2 m -62.46 -43.46 98.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 174.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.06 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.735 -0.211 . . . . 25.0 111.276 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.48 -39.09 82.59 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.939 0.4 . . . . 25.0 110.249 178.194 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.198 179.622 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -72.45 -40.82 66.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.92 -0.488 . . . . 25.0 110.888 178.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.548 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 0.6 OUTLIER -65.45 -14.59 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 114.524 1.305 . . . . 25.0 114.524 -172.18 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -63.05 -13.03 30.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.388 -0.82 . . . . 25.0 111.639 174.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -92.04 -5.95 51.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 176.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -76.65 76.01 3.32 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.465 0.65 . . . . 25.0 109.49 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -75.78 -8.33 56.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 -178.082 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.01 -29.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.033 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.4 m -142.19 119.26 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.523 -0.736 . . . . 25.0 110.13 171.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -68.27 -34.36 76.05 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 9.7 p -56.91 -33.17 41.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 122.052 -0.405 . . . . 25.0 111.426 178.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.72 -40.93 54.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 121.587 -0.696 . . . . 25.0 110.847 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.8 ptp -68.6 -31.38 70.52 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.07 -1.019 . . . . 25.0 109.57 178.265 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.91 -48.15 64.02 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.075 -0.391 . . . . 25.0 110.936 177.438 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -61.7 -43.37 98.98 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 62.0 p -69.06 -37.95 78.82 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.226 -0.59 . . . . 25.0 112.2 -176.656 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.2 t -73.19 -28.67 62.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.451 -0.781 . . . . 25.0 109.853 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 174.758 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.217 0.532 . . . . 25.0 110.734 178.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -61.7 -40.45 95.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -66.17 -38.9 89.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 110.64 178.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.42 -45.41 76.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -75.82 -30.41 58.99 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 179.299 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -64.56 -34.48 78.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 176.605 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -69.62 -46.36 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.147 0.975 . . . . 25.0 109.936 177.519 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 125.022 2.344 . . . . 25.0 111.94 -179.503 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 . . . . . 0 N--CA 1.513 2.704 0 CA-C-O 122.566 1.174 . . . . 25.0 112.64 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -178.98 171.19 43.25 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 108.905 -1.678 . . . . 25.0 108.905 175.829 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -151.32 149.89 29.87 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.87 -1.529 . . . . 25.0 106.87 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.8 m -148.53 149.46 31.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.627 0.727 . . . . 25.0 109.368 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.62 100.04 9.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.802 179.116 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 26.3 p -116.76 -72.2 0.7 Allowed 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -153.64 14.59 0.49 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -170.405 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 78.4 p -74.16 165.46 25.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.516 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1397 ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 12.4 t80 -82.49 119.33 24.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 168.229 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.58 128.64 36.65 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.577 -0.702 . . . . 25.0 111.051 -177.103 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 83.79 40.76 8.6 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 117.023 1.569 . . . . 25.0 117.023 -179.371 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -28.62 16.55 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -66.2 142.32 57.76 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.34 -0.845 . . . . 25.0 111.532 -175.379 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -154.52 121.83 5.69 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.119 -2.178 . . . . 25.0 105.119 -178.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -149.92 87.14 1.46 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.543 -0.91 . . . . 25.0 108.543 -175.5 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1404 ' ' ASP . . . . . . . . . . . . 0.251 14.2 t70 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 124.508 2.099 . . . . 25.0 112.676 -178.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 115.663 1.727 . . . . 25.0 115.663 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.8 -50.08 72.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.547 1.165 . . . . 25.0 108.219 177.573 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -68.03 -25.1 65.21 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.504 177.438 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -66.67 -38.38 86.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.419 1.009 . . . . 25.0 109.132 174.457 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.56 -41.76 92.59 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.313 177.432 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -62.93 -32.59 73.92 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.081 0.467 . . . . 25.0 110.533 178.067 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.84 -46.57 84.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.051 0.929 . . . . 25.0 111.06 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.6 -42.97 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.994 -1.003 . . . . 25.0 108.472 -179.208 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -59.3 -37.68 78.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.55 85.36 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.795 0.331 . . . . 25.0 110.573 177.124 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.11 -23.0 65.78 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.912 -178.536 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.62 -48.09 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -69.1 -41.14 77.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.486 177.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.84 -31.79 73.19 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -175.225 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 19.7 m -80.83 -19.24 45.05 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.608 0.363 . . . . 25.0 111.206 -178.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.05 20.81 13.11 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.285 0.365 . . . . 25.0 111.741 -177.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -77.06 148.13 36.31 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.05 -20.82 26.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -175.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.65 -35.57 75.31 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.036 0.835 . . . . 25.0 112.511 -177.568 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -159.38 108.75 1.87 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 179.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.6 137.16 32.58 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 123.934 0.771 . . . . 25.0 109.629 -178.123 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -136.7 88.64 2.39 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.958 -1.019 . . . . 25.0 108.839 175.005 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.43 -42.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 114.457 -1.247 . . . . 25.0 109.814 -175.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -70.73 -36.14 73.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.9 -35.72 81.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.389 -0.819 . . . . 25.0 111.059 176.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.4 -40.66 97.22 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.483 -0.487 . . . . 25.0 109.857 174.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.9 -42.46 94.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 119.917 -0.713 . . . . 25.0 109.81 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.55 -36.64 79.07 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.137 -0.625 . . . . 25.0 112.652 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.31 89.74 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 82.6 mt -68.53 -40.34 80.79 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.79 -0.568 . . . . 25.0 110.801 175.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.09 -39.73 94.69 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.737 0.415 . . . . 25.0 110.461 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.78 -50.99 71.41 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.67 0.271 . . . . 25.0 110.563 175.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -29.11 70.15 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.324 0.583 . . . . 25.0 111.587 -177.458 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.36 -30.16 63.12 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 121.455 -0.778 . . . . 25.0 110.62 176.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 69.1 m -81.06 -23.03 38.8 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.37 145.42 49.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.55 0.69 . . . . 25.0 112.349 -178.336 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -108.77 67.14 0.65 Allowed 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.4 162.77 4.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 115.692 -0.686 . . . . 25.0 110.43 178.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 45.0 p -72.1 159.07 34.77 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 119.748 -0.781 . . . . 25.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 53.2 mtt -61.29 -37.24 82.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.463 0.649 . . . . 25.0 111.614 179.188 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.62 -35.93 75.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.335 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.35 -46.58 79.65 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.867 177.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.91 98.46 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 119.662 -0.815 . . . . 25.0 110.296 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.194 0.521 . . . . 25.0 112.368 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -78.45 -32.81 48.66 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.921 -0.487 . . . . 25.0 112.286 -176.097 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -83.63 50.44 1.8 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 178.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.5 m -64.99 -27.0 68.53 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.646 0.736 . . . . 25.0 110.611 177.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.99 -33.14 73.78 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.939 0.876 . . . . 25.0 110.445 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 67.5 ttp -69.02 -33.06 73.02 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 177.2 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.81 -30.31 37.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.355 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.7 m -62.01 -42.24 98.95 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 175.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 32.1 m -60.82 -45.23 95.25 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.499 -0.319 . . . . 25.0 110.22 177.381 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.75 -44.32 96.86 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -26.77 68.53 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.73 -36.18 70.4 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.925 -0.484 . . . . 25.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.495 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 4.7 mt -57.7 -15.87 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -177.455 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -57.77 -12.68 3.22 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.643 -1.286 . . . . 25.0 113.959 176.409 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.462 ' HB2' ' CZ ' ' A' 1397 ' ' PHE . 2.6 mpt_? -85.72 -8.02 58.43 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 118.616 -0.707 . . . . 25.0 112.617 176.884 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -63.87 78.74 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.633 0 O-C-N 123.688 0.618 . . . . 25.0 111.79 171.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.47 -7.68 53.79 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.395 -1.441 . . . . 25.0 111.5 -177.853 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.76 -34.69 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.88 -178.718 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 20.3 m -144.92 129.12 17.7 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 115.362 1.615 . . . . 25.0 115.362 177.17 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.66 -20.59 49.91 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.186 -0.915 . . . . 25.0 112.745 177.513 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.19 -42.73 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.879 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.69 -39.33 84.99 Favored 'Isoleucine or valine' 0 C--O 1.25 1.09 0 O-C-N 121.414 -0.804 . . . . 25.0 109.663 176.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.86 -39.61 94.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.9 -0.5 . . . . 25.0 111.778 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -42.4 86.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 25.0 111.277 177.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.99 -40.87 97.36 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.986 -0.686 . . . . 25.0 109.169 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 40.8 p -64.03 -28.77 70.02 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.5 -0.75 . . . . 25.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 417' ' ' THR . . . . . 0.582 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 91.8 m -67.58 -38.8 84.56 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.681 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.5 -42.43 98.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.294 -0.262 . . . . 25.0 110.294 175.36 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.37 -37.27 77.51 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.738 -0.601 . . . . 25.0 112.073 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 22.3 m-85 -58.54 -39.94 81.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.357 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -72.84 -46.49 52.74 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.53 -0.271 . . . . 25.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -57.55 -44.71 85.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.317 0.647 . . . . 25.0 112.165 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.11 -0.43 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.233 1.568 . . . . 25.0 115.233 -175.214 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -75.72 -28.8 58.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -95.08 13.6 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.285 0.564 . . . . 25.0 110.762 -176.669 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 20.3 mmm . . . . . 0 CA--C 1.546 0.803 0 CA-C-O 122.712 1.244 . . . . 25.0 111.849 -176.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.503 2.191 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -54.11 -57.89 9.38 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.513 0.725 . . . . 25.0 111.693 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.5 m -63.69 -25.15 68.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.69 0.757 . . . . 25.0 112.342 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -72.33 -41.74 66.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.87 -35.67 74.87 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.29 -44.61 84.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.168 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -61.66 -48.52 80.45 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.292 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.92 -44.48 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.722 0.296 . . . . 25.0 110.656 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.34 -38.79 90.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.036 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.68 85.73 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.99 -26.59 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.292 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.38 -50.94 78.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 109.68 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -70.7 -27.06 63.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.6 -0.687 . . . . 25.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -75.18 -40.72 59.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 24.2 m -68.99 -31.39 70.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.1 mt -97.53 23.06 8.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.49 142.51 50.17 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 17.3 pt -68.35 -26.18 33.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 115.887 1.81 . . . . 25.0 115.887 -171.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.99 -39.09 72.64 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -154.99 73.74 0.89 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.96 123.62 21.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 113.159 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -98.54 100.2 11.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.252 1.025 . . . . 25.0 109.86 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.93 -46.76 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.244 -1.344 . . . . 25.0 111.659 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.88 -38.61 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.266 -0.574 . . . . 25.0 112.516 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.0 -37.46 74.32 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.286 0.565 . . . . 25.0 110.167 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.73 -43.64 92.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.595 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.63 -42.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.23 -43.63 95.88 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.819 0.343 . . . . 25.0 111.032 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.26 98.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.276 0.56 . . . . 25.0 110.422 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.16 -38.41 85.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.704 -0.622 . . . . 25.0 110.794 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -74.14 -29.85 62.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.15 -40.86 98.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.39 -39.48 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.85 68.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 22.3 t -81.75 -21.93 37.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.058 0.456 . . . . 25.0 111.085 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.86 144.08 43.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.462 0.648 . . . . 25.0 111.547 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -77.82 60.66 2.31 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.887 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.03 114.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.3 p -77.43 159.21 29.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -63.67 -24.54 67.82 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 111.005 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.55 -33.12 66.59 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 122.049 -0.407 . . . . 25.0 110.314 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.93 -39.35 79.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.54 80.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.03 -36.91 85.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.7 0.286 . . . . 25.0 111.751 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.19 -26.16 55.89 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.075 0.464 . . . . 25.0 111.532 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -119.01 47.78 1.6 Allowed 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.7 m -67.63 -19.69 65.24 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.502 0.668 . . . . 25.0 110.685 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -58.78 -38.47 78.61 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.069 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -66.85 -33.03 74.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.401 0.62 . . . . 25.0 110.083 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 21.0 mm -72.48 -35.04 50.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -65.63 -39.81 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.8 m -63.33 -43.56 97.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.807 -0.558 . . . . 25.0 111.082 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.63 -38.06 77.26 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.525 0.679 . . . . 25.0 110.448 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.54 -33.67 75.39 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.452 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.95 -47.28 69.07 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 111.279 0.103 . . . . 25.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.431 ' H ' HG13 ' B' ' 403' ' ' ILE . 1.0 OUTLIER -58.44 -17.2 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -174.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -9.03 7.34 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.184 -0.947 . . . . 25.0 113.242 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -84.63 -13.51 51.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.56 109.82 0.44 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 173.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -106.68 -31.12 8.59 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -170.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 31.3 m -71.74 -12.35 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.4 t -148.12 120.06 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -80.65 -17.17 52.07 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.25 -37.0 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.323 -0.861 . . . . 25.0 110.964 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.4 mt -68.84 -43.15 82.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.459 -0.776 . . . . 25.0 109.583 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.3 -28.14 66.01 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 118.912 -1.115 . . . . 25.0 110.583 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -44.98 67.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.552 0.615 . . . . 25.0 110.293 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -65.01 -40.52 95.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.816 0.817 . . . . 25.0 109.188 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -68.27 -41.59 80.83 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.896 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 96.7 m -68.22 -37.64 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.3 ttp -57.31 -54.11 50.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.956 0.408 . . . . 25.0 110.581 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.44 -44.49 91.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 25.0 110.891 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.93 -44.22 91.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.692 0.282 . . . . 25.0 111.538 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -66.79 -36.38 82.26 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 122.367 -0.208 . . . . 25.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -67.59 -46.25 73.15 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.018 0.199 . . . . 25.0 111.161 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 -176.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.053 -1.03 . . . . 25.0 110.337 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 59.8 p -69.5 -27.95 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.966 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -48.19 68.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.67 -41.74 92.12 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.304 0.378 . . . . 25.0 110.692 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.96 -37.21 86.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.227 -0.189 . . . . 25.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.55 -43.07 95.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.658 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.76 -42.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.82 -44.07 86.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.015 -0.428 . . . . 25.0 110.213 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.27 90.45 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.702 0.287 . . . . 25.0 110.964 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.94 -39.12 93.02 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.98 -42.95 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.211 -0.662 . . . . 25.0 109.211 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.96 -23.69 63.8 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -98.09 -28.13 13.89 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 72.7 p -70.93 -30.2 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.7 mt -103.47 45.68 0.95 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.954 0.407 . . . . 25.0 111.002 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -98.87 162.42 13.1 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.979 0.419 . . . . 25.0 111.992 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.99 -16.82 17.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.88 -39.96 87.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.452 0.644 . . . . 25.0 111.969 -171.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -177.54 95.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.84 118.62 16.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -171.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -100.18 93.23 5.6 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 122.39 1.091 . . . . 25.0 111.462 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.7 -43.11 86.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.312 -1.313 . . . . 25.0 111.045 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -65.68 -46.19 80.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.747 -0.596 . . . . 25.0 111.616 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -59.76 -33.53 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.02 -43.27 88.1 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.453 -0.499 . . . . 25.0 110.492 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.26 -43.03 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.99 -42.26 93.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.278 0.561 . . . . 25.0 110.783 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.89 92.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.84 -36.27 77.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.188 -0.32 . . . . 25.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.94 -39.55 69.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.922 0.391 . . . . 25.0 110.896 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.51 -42.62 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.229 0.538 . . . . 25.0 110.693 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.33 -31.87 66.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.956 -0.465 . . . . 25.0 111.077 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.06 68.15 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 60.6 p -79.36 -15.91 57.13 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.88 0.371 . . . . 25.0 111.306 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.73 131.19 34.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.04 0.924 . . . . 25.0 111.739 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -101.45 134.9 43.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.83 159.11 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 25.0 110.683 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 73.0 p -82.24 162.83 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 58.4 mtt -64.14 -26.75 68.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.25 -36.31 82.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.941 -0.474 . . . . 25.0 111.293 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 25.0 110.41 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.25 -42.49 68.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.188 -0.32 . . . . 25.0 111.117 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -67.21 -35.97 80.71 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.959 -0.463 . . . . 25.0 111.722 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -119.33 50.31 1.25 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.704 0.764 . . . . 25.0 111.145 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 28.3 m -69.51 -19.3 63.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -58.4 -32.03 68.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.594 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -73.16 -33.22 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.89 -39.08 79.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.645 -1.243 . . . . 25.0 107.645 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 40.9 m -62.96 -41.21 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.291 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -44.38 91.56 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.317 -0.239 . . . . 25.0 111.128 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.91 -38.66 82.96 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.367 0.603 . . . . 25.0 109.895 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -64.86 -35.05 79.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.927 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -65.96 -32.02 73.26 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.605 -0.684 . . . . 25.0 111.804 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.48 -13.58 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -55.27 -13.38 1.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.72 51.06 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.973 -0.454 . . . . 25.0 111.591 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -75.82 71.4 2.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.67 -0.34 42.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.271 0.558 . . . . 25.0 111.148 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.65 -31.43 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.4 t -144.14 120.02 10.61 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.828 0.823 . . . . 25.0 110.43 172.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.48 -25.51 66.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.402 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.53 -45.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 122.044 -0.41 . . . . 25.0 110.177 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.76 -42.78 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.4 ttp -59.18 -42.12 90.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.04 -47.58 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.846 0.355 . . . . 25.0 111.386 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.38 -45.27 91.88 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.543 -0.463 . . . . 25.0 110.683 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.2 p -64.96 -36.69 85.19 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.46 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 80.4 m -67.4 -41.33 85.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.726 0.298 . . . . 25.0 110.377 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -61.69 -47.82 83.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.192 -0.299 . . . . 25.0 110.192 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.72 -39.36 93.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.61 0.243 . . . . 25.0 111.194 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.9 -46.7 87.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.52 -35.34 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.93 -0.481 . . . . 25.0 112.062 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.72 -40.16 91.91 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 -172.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 115.159 1.541 . . . . 25.0 115.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.91 -41.53 98.03 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.622 -1.299 . . . . 25.0 109.551 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.0 m -60.85 -28.08 68.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -45.38 58.28 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.345 -0.983 . . . . 25.0 108.345 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.21 -41.92 97.68 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.749 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.65 -42.65 88.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -45.13 95.35 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.42 -42.54 93.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -64.83 -34.63 78.82 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.618 -0.676 . . . . 25.0 111.368 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.57 96.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.76 -37.77 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 25.0 111.356 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.53 -45.24 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -66.6 -44.28 82.57 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.298 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.99 -37.29 85.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 31.3 m -71.65 -24.62 61.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 13.3 mt -115.21 18.99 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 146.63 24.45 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.079 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -26.22 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 116.183 -0.462 . . . . 25.0 111.618 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.25 -40.04 94.84 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -162.13 59.47 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.116 0.484 . . . . 25.0 110.747 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 134.77 56.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -143.57 114.49 7.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 122.034 0.921 . . . . 25.0 110.262 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.12 -43.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.532 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.96 -36.88 69.99 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.167 -0.333 . . . . 25.0 111.089 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.2 -36.46 75.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.071 0.462 . . . . 25.0 110.207 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.3 t -68.55 -41.63 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.718 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.45 -44.83 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.11 -40.76 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 25.0 110.705 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.7 99.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.216 0.532 . . . . 25.0 110.804 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.94 -37.83 79.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.083 -0.386 . . . . 25.0 110.61 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.6 -30.75 66.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.11 -0.369 . . . . 25.0 111.665 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.21 -35.51 81.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.731 0.777 . . . . 25.0 110.043 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -28.49 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.792 -0.568 . . . . 25.0 109.914 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -80.6 -28.72 37.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 94.4 p -81.58 -24.47 36.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.252 0.549 . . . . 25.0 109.668 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.05 137.84 45.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 174.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -79.42 65.84 4.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.829 0.823 . . . . 25.0 110.124 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.09 114.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.6 p -76.57 165.11 25.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.794 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -61.5 -28.66 69.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.568 -0.287 . . . . 25.0 111.086 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -70.5 -39.65 74.02 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.031 -0.418 . . . . 25.0 109.905 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.11 -33.83 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.992 -0.683 . . . . 25.0 110.003 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.08 93.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.2 -41.53 94.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.545 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.08 -36.0 81.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.106 0.479 . . . . 25.0 110.086 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -109.56 53.88 0.68 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.508 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 53.2 m -65.73 -21.39 66.52 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.297 1.046 . . . . 25.0 108.24 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.82 -32.96 72.31 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.971 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -30.57 69.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.597 -0.689 . . . . 25.0 109.835 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.2 mm -67.68 -35.74 73.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.2 m -63.68 -43.13 97.55 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.346 -0.388 . . . . 25.0 110.057 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 58.3 m -60.38 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.225 -0.287 . . . . 25.0 110.225 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.69 -38.67 78.76 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.193 0.521 . . . . 25.0 111.296 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -62.72 -37.13 85.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.046 -0.525 . . . . 25.0 110.859 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.2 -38.09 78.44 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.02 -20.95 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -64.99 -11.66 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.346 -0.846 . . . . 25.0 112.893 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -88.83 -1.22 57.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -71.0 83.71 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.968 0.889 . . . . 25.0 110.945 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.13 -21.01 66.73 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.059 -0.973 . . . . 25.0 112.457 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.94 -26.57 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.5 t -138.48 120.08 15.09 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -72.32 -26.39 61.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.358 -0.837 . . . . 25.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.08 -40.35 78.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -42.19 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.639 -0.663 . . . . 25.0 110.376 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.0 ptp -69.43 -28.53 66.21 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.326 -0.949 . . . . 25.0 111.753 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -43.37 57.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.668 0.667 . . . . 25.0 110.243 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -62.28 -44.22 97.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.552 0.691 . . . . 25.0 110.873 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.9 p -69.74 -35.49 75.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.827 -0.546 . . . . 25.0 112.022 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.7 t -74.02 -27.2 60.83 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.545 -0.722 . . . . 25.0 110.678 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -63.68 -48.05 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.29 -42.51 99.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.959 0.409 . . . . 25.0 110.984 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -58.09 -42.57 85.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.941 -0.392 . . . . 25.0 109.941 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.406 -0.184 . . . . 25.0 111.446 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.18 -42.49 86.21 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.724 0.41 . . . . 25.0 110.477 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 115.121 1.526 . . . . 25.0 115.121 -176.648 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.38 -32.83 74.36 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.699 -1.251 . . . . 25.0 109.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 m -62.53 -31.48 72.26 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.992 -0.443 . . . . 25.0 111.821 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.34 -39.65 78.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.45 -39.69 85.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.2 -37.49 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.293 -0.255 . . . . 25.0 110.644 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -62.32 -45.34 93.66 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.859 -0.423 . . . . 25.0 109.859 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.89 -41.56 92.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.07 -39.04 91.06 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.171 -0.331 . . . . 25.0 111.24 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.53 91.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.23 -27.83 69.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.4 mm -62.37 -47.85 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -65.25 -42.12 93.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 25.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.04 -21.78 66.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.8 p -93.03 -19.01 21.99 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.603 1.705 . . . . 25.0 115.603 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.39 30.23 7.21 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.377 0.99 . . . . 25.0 112.771 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -72.41 168.93 17.41 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.1 pt -63.81 -31.92 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.114 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.15 -40.14 96.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -169.28 146.93 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.45 118.56 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.212 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -113.8 87.62 2.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.544 1.164 . . . . 25.0 109.565 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.67 -45.38 90.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.42 -1.264 . . . . 25.0 111.705 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.85 -38.31 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.598 -0.689 . . . . 25.0 111.69 -174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -60.57 -37.91 82.84 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.723 -0.391 . . . . 25.0 110.419 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.52 -39.57 91.97 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.781 -0.368 . . . . 25.0 111.448 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.66 -46.61 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.77 -40.35 97.04 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.997 0.427 . . . . 25.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.03 97.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.772 -0.58 . . . . 25.0 110.848 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.13 -35.12 76.04 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.845 -0.535 . . . . 25.0 109.959 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.35 -40.83 73.82 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.007 0.432 . . . . 25.0 110.528 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.23 -37.24 80.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.999 -0.438 . . . . 25.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.631 -0.258 . . . . 25.0 111.609 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 55.2 m -79.89 -11.39 59.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.46 127.66 42.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.069 0.938 . . . . 25.0 111.32 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.61 127.5 32.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.87 157.35 20.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 69.0 p -84.16 161.62 20.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -26.08 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.132 0.492 . . . . 25.0 109.945 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -70.93 -34.58 71.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.848 -0.532 . . . . 25.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.2 -36.26 81.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.03 93.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.474 -0.49 . . . . 25.0 109.963 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.47 -39.87 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 25.0 110.915 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -67.05 -23.57 65.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.491 -0.756 . . . . 25.0 110.774 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.37 45.03 1.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 122.747 0.419 . . . . 25.0 110.298 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 96.8 m -66.52 -19.84 65.88 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 122.285 1.041 . . . . 25.0 108.936 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.47 -42.26 87.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.365 -0.834 . . . . 25.0 110.839 173.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -69.56 -33.85 73.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.888 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.85 -35.68 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 35.8 m -66.87 -38.74 86.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.89 -43.55 95.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.155 -0.34 . . . . 25.0 110.653 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.04 -38.38 79.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.207 0.527 . . . . 25.0 110.977 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.62 -39.11 90.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.018 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -65.49 -44.14 88.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.401 HG13 ' H ' ' B' ' 403' ' ' ILE . 0.4 OUTLIER -62.92 -13.66 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -172.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -67.14 -12.11 59.1 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.092 -1.005 . . . . 25.0 112.56 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -85.47 -11.97 52.98 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.856 -0.527 . . . . 25.0 111.254 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.53 74.86 1.97 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.586 0.708 . . . . 25.0 111.828 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -73.37 -2.06 20.72 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.0 t -66.11 -33.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 25.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.9 t -138.03 117.79 13.17 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.457 -0.777 . . . . 25.0 109.415 173.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.1 -24.87 64.18 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.925 -0.58 . . . . 25.0 110.126 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.95 -41.93 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 25.0 110.029 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.42 -47.44 72.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.762 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.13 -29.86 68.86 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.512 -0.742 . . . . 25.0 111.063 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.71 -45.63 78.13 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.961 -0.462 . . . . 25.0 110.535 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.35 -37.06 86.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 32.4 m -64.34 -40.6 96.21 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 52.6 m -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.042 -0.355 . . . . 25.0 110.042 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 60.4 ttp -59.67 -50.6 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.406 -0.184 . . . . 25.0 110.96 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.31 -41.03 97.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.038 0.447 . . . . 25.0 109.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.516 -0.311 . . . . 25.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -63.54 -41.39 98.45 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.806 -0.179 . . . . 25.0 110.634 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--O 1.219 -0.528 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -50.37 -50.64 50.85 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.024 0.929 . . . . 25.0 113.277 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.5 m -59.53 -29.1 67.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -73.14 -47.89 40.12 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.38 -0.971 . . . . 25.0 108.38 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.29 -40.56 94.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.217 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.28 -42.56 99.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.011 -0.276 . . . . 25.0 111.626 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.27 -45.1 93.05 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.892 -0.323 . . . . 25.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.68 -45.25 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.98 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.427 . . . . 25.0 110.926 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -67.51 -27.23 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.406 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.57 -46.01 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.209 0.458 . . . . 25.0 110.873 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -68.84 -38.27 79.7 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.157 -0.617 . . . . 25.0 111.28 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -70.92 -37.16 72.91 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.308 -0.557 . . . . 25.0 111.435 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.6 p -83.21 1.65 39.67 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 123.011 0.524 . . . . 25.0 112.378 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.84 30.94 2.77 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.323 0.582 . . . . 25.0 109.609 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -65.74 148.78 51.2 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 44.1 pt -86.46 -2.74 8.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.076 0.465 . . . . 25.0 110.711 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.35 -39.94 18.5 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.493 -0.776 . . . . 25.0 111.131 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 47.4 t30 178.32 147.87 0.17 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 101.558 -3.497 . . . . 25.0 101.558 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.95 149.12 33.6 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -94.42 99.68 11.83 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.402 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.31 -47.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.024 0.44 . . . . 25.0 111.439 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -64.77 -39.02 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.74 -36.09 81.91 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.964 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 17.3 t -63.68 -43.16 97.51 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.366 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.8 mt -63.82 -46.22 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -64.2 -42.28 96.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.754 0.311 . . . . 25.0 111.641 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.16 98.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.48 0.657 . . . . 25.0 110.315 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.45 -34.6 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.326 -0.397 . . . . 25.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -73.1 -33.53 65.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.052 0.453 . . . . 25.0 111.48 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.3 -40.92 97.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.606 0.717 . . . . 25.0 109.129 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -27.03 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.702 -0.624 . . . . 25.0 111.017 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.27 -34.71 63.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.425 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 50.9 m -79.7 -24.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 25.0 111.562 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.23 131.09 41.56 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.528 0.68 . . . . 25.0 110.269 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.85 70.97 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.614 0.721 . . . . 25.0 109.777 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.9 t -81.3 119.82 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 25.0 109.968 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 11.4 p -73.08 143.38 47.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -65.0 -29.11 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.47 -34.58 72.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 25.0 110.219 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -69.14 -41.18 77.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.62 68.98 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.682 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.47 -36.46 80.5 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 111.757 0.28 . . . . 25.0 111.757 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -75.95 -7.01 53.58 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.919 -0.488 . . . . 25.0 112.076 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -119.04 55.58 0.93 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.1 m -65.07 -24.67 67.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.65 -40.81 80.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.544 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.8 ttp -68.41 -36.55 79.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 109.997 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.29 -39.51 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 63.0 m -66.36 -40.06 89.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.836 -0.62 . . . . 25.0 109.712 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 98.8 m -61.87 -47.22 85.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.927 -0.483 . . . . 25.0 110.816 175.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.03 -37.58 80.19 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.457 0.646 . . . . 25.0 110.282 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.88 -37.07 86.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.016 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -72.05 -43.02 65.59 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.14 -29.83 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.351 0.66 . . . . 25.0 112.057 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -57.92 -8.13 0.92 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.724 1.75 . . . . 25.0 115.724 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -80.72 -13.98 58.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.833 -0.542 . . . . 25.0 111.507 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.69 126.74 25.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -106.95 -31.32 8.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.94 -14.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 116.444 2.016 . . . . 25.0 116.444 -164.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 137.56 23.07 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.083 -1.011 . . . . 25.0 112.342 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -68.91 -40.44 79.09 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.21 -41.37 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 114.012 1.116 . . . . 25.0 114.012 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.23 -45.36 75.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 121.767 -0.583 . . . . 25.0 110.958 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.6 ptp -69.43 -30.8 68.81 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 119.933 -0.707 . . . . 25.0 110.219 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.57 -51.04 55.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.005 -0.434 . . . . 25.0 111.408 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.89 -42.17 99.68 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.687 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 48.2 p -66.54 -35.99 81.58 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.149 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 97.8 m -66.47 -41.58 88.8 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 122.013 -0.429 . . . . 25.0 110.612 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 37.8 ttp -60.5 -49.0 79.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.02 -40.44 94.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.641 0.258 . . . . 25.0 111.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.34 -49.37 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.92 -31.56 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.957 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.03 -40.81 77.41 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.912 0.387 . . . . 25.0 110.315 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.512 2.63 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -64.93 -39.96 94.3 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 121.098 -1.001 . . . . 25.0 110.099 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.1 p -65.5 -32.58 74.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.844 0.354 . . . . 25.0 111.344 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.53 -44.05 68.34 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.63 -41.83 99.25 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.568 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.86 -42.0 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.646 0.26 . . . . 25.0 111.111 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 25.0 110.785 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.14 -41.99 87.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -61.81 -37.37 84.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.119 0.485 . . . . 25.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.62 91.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.94 -28.35 68.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.644 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.94 -46.59 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 121.715 -0.616 . . . . 25.0 109.414 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -68.82 -39.24 80.12 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.374 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.68 -28.72 67.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 62.6 p -84.06 -15.43 47.5 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 20.1 mt -128.0 48.08 2.32 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 118.058 0.39 . . . . 25.0 111.27 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.75 162.67 29.2 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.764 0.711 . . . . 25.0 110.586 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.0 -19.12 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -107.96 -40.24 5.3 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.556 1.317 . . . . 25.0 114.556 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -151.51 116.63 5.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.35 153.29 51.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -171.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -124.13 107.7 11.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.307 1.051 . . . . 25.0 111.198 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.49 -40.48 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 114.265 -1.334 . . . . 25.0 111.406 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -68.02 -44.48 76.41 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 -175.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -61.02 -35.55 77.15 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.269 -0.423 . . . . 25.0 111.526 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.9 t -62.92 -40.55 97.95 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.015 -0.674 . . . . 25.0 110.315 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.92 -45.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.38 -44.21 92.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.81 99.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.276 0.56 . . . . 25.0 110.345 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.2 mt -65.83 -37.49 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.5 -42.16 68.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.098 -1.041 . . . . 25.0 110.047 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.32 -34.2 74.3 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.8 -29.25 69.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.096 -0.377 . . . . 25.0 110.464 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 28.3 t -78.98 -21.21 47.41 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.93 0.395 . . . . 25.0 111.814 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.05 121.1 17.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.778 0.799 . . . . 25.0 110.334 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -80.77 61.55 4.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.846 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.06 147.9 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 70.3 p -75.78 162.88 27.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.942 0.401 . . . . 25.0 110.161 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 76.3 mtm -61.53 -33.26 73.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.356 . . . . 25.0 110.812 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -71.71 -30.45 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.318 -0.239 . . . . 25.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.51 -42.5 71.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.58 82.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.917 0.389 . . . . 25.0 110.42 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -63.27 -46.24 87.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.427 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.35 -35.8 71.27 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -88.12 54.02 2.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.597 0.713 . . . . 25.0 109.177 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -20.35 65.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.081 0.943 . . . . 25.0 111.491 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -60.58 -35.95 77.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.046 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.8 ttm -66.2 -37.53 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.32 -40.25 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.3 m -65.48 -42.25 92.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.795 0.331 . . . . 25.0 110.838 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.0 m -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.553 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.93 -37.26 73.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.286 0.565 . . . . 25.0 111.055 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.65 -38.32 89.81 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.263 -0.426 . . . . 25.0 111.025 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.47 -38.56 77.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.904 -0.498 . . . . 25.0 111.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.92 -20.73 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -59.87 -11.06 4.68 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.96 -11.37 59.58 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 119.386 -0.34 . . . . 25.0 111.872 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.93 72.7 0.41 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.05 -14.19 61.36 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.139 0.976 . . . . 25.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.71 -33.91 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.418 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.3 t -144.31 119.94 10.44 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -66.1 -27.63 68.21 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.98 -35.03 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.851 -0.53 . . . . 25.0 111.491 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.96 -45.14 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.841 -0.537 . . . . 25.0 110.479 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.4 ptm -67.72 -30.06 69.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.354 -0.841 . . . . 25.0 110.262 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -70.31 -47.69 59.99 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.578 -0.701 . . . . 25.0 111.828 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -62.1 -40.88 97.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.928 -0.483 . . . . 25.0 110.519 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.6 p -66.75 -33.86 76.56 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.272 -0.571 . . . . 25.0 110.961 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 46.6 m -66.26 -41.99 89.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.835 -0.54 . . . . 25.0 109.875 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.4 ttp -60.16 -46.95 87.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.495 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.95 -38.85 89.68 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.766 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.79 -47.77 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.53 -34.82 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.868 -0.52 . . . . 25.0 112.401 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -57.32 -46.71 82.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.619 0.368 . . . . 25.0 110.116 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--N 1.32 -0.705 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -177.634 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 123.327 1.536 . . . . 25.0 114.827 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -62.07 -38.96 90.79 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 120.59 -1.319 . . . . 25.0 111.872 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -30.42 71.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.325 0.584 . . . . 25.0 111.657 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -41.25 73.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.27 -32.85 72.31 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.46 -42.09 98.23 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.295 -0.261 . . . . 25.0 110.295 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -62.4 -42.94 99.81 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.673 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.02 -44.82 88.09 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -61.0 -40.09 92.17 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.06 -0.4 . . . . 25.0 110.753 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.95 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.88 -40.57 96.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.35 -41.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 121.656 -0.652 . . . . 25.0 110.057 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.18 -25.36 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.268 -0.27 . . . . 25.0 111.696 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.37 -36.74 12.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 69.4 p -67.08 -21.62 65.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -172.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 76.1 mt -108.11 29.71 7.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -90.03 154.56 19.72 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.738 0.304 . . . . 25.0 111.475 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -42.53 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 116.461 2.023 . . . . 25.0 116.461 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.58 -39.98 92.24 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -168.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -153.97 68.77 0.77 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.94 119.41 12.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.077 -174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -106.65 93.84 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.147 0.975 . . . . 25.0 110.96 -176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.78 -45.64 79.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.443 -1.253 . . . . 25.0 111.593 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.7 -43.66 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.06 0.457 . . . . 25.0 111.497 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -60.82 -36.81 80.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.04 0.385 . . . . 25.0 112.04 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -66.06 -41.05 91.3 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.099 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.28 -44.96 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.84 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.865 0.364 . . . . 25.0 110.972 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.0 97.91 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.208 0.527 . . . . 25.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.2 mt -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.724 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.23 -35.92 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.093 -0.38 . . . . 25.0 110.806 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.42 -38.61 81.08 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.632 -0.667 . . . . 25.0 109.442 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -34.67 77.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.889 178.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.97 -28.13 60.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.3 t -79.85 -32.54 40.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 53.4 mt -69.51 137.11 52.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.226 0.536 . . . . 25.0 111.259 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.16 134.25 42.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.18 125.24 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.277 -2.12 . . . . 25.0 105.277 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.5 p -80.15 155.65 27.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -63.9 -26.08 68.44 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.121 0.486 . . . . 25.0 110.008 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -64.88 -38.43 90.94 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.906 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.14 -37.15 61.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.857 -0.527 . . . . 25.0 109.611 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.96 73.46 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 121.084 -0.246 . . . . 25.0 110.493 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.58 -39.78 95.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.618 0.247 . . . . 25.0 111.5 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -69.47 -26.43 64.57 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.099 0.476 . . . . 25.0 110.44 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.42 42.92 1.47 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 25.0 109.886 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 81.2 m -67.33 -28.86 68.33 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.16 -36.72 78.2 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.78 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.02 -27.99 66.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.076 0.465 . . . . 25.0 110.017 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 25.3 mm -68.7 -34.6 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.4 m -65.25 -40.62 94.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.4 m -60.96 -45.48 94.55 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 122.123 -0.361 . . . . 25.0 110.464 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.83 -37.88 80.45 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.168 0.508 . . . . 25.0 110.254 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -65.38 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.094 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.63 -36.57 83.22 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.777 0.288 . . . . 25.0 111.777 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.59 -16.32 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 121.257 0.551 . . . . 25.0 111.971 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.488 HH21 HG23 ' B' ' 417' ' ' THR . 99.4 mtt180 -61.94 -10.95 10.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.093 -1.004 . . . . 25.0 113.357 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.03 -13.63 58.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.109 -0.369 . . . . 25.0 110.699 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' B' ' 412' ' ' ILE . 32.0 t80 -76.51 76.61 3.22 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.041 0.924 . . . . 25.0 110.527 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -77.2 -6.74 54.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.928 -0.578 . . . . 25.0 112.505 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.67 -37.86 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.307 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.6 m -138.6 119.99 14.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -68.25 -26.08 65.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.39 -39.08 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 O-C-N 121.982 -0.449 . . . . 25.0 111.057 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' B' ' 406' ' ' PHE . 3.7 mt -65.73 -44.97 93.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.3 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.6 ptp -70.63 -28.19 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.299 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.36 -46.26 70.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.066 0.394 . . . . 25.0 109.985 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.91 -41.52 98.01 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.401 0.62 . . . . 25.0 109.63 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 47.8 m -64.6 -37.87 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.999 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . 0.488 HG23 HH21 ' B' ' 404' ' ' ARG . 53.4 m -71.61 -36.59 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.172 -0.33 . . . . 25.0 111.112 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 26.8 ttt -57.98 -49.15 77.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.24 -44.19 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.698 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -55.56 -45.16 77.34 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.245 -0.285 . . . . 25.0 110.609 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -72.05 -35.32 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -58.88 -45.36 90.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -177.82 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.508 2.454 0 N-CA-C 115.08 1.511 . . . . 25.0 115.08 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -66.21 -39.03 89.33 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.312 -0.868 . . . . 25.0 110.3 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.3 p -59.65 -29.84 68.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.089 0.471 . . . . 25.0 111.372 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -69.03 -44.47 72.63 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.51 -33.07 68.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.324 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.52 -41.41 98.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.596 -0.52 . . . . 25.0 109.596 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -63.15 -43.63 97.8 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.522 -0.308 . . . . 25.0 110.262 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.66 -48.39 84.91 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.44 -36.76 76.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.15 0.5 . . . . 25.0 110.571 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.67 95.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.52 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.863 -0.523 . . . . 25.0 109.689 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.5 -49.93 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.776 -0.577 . . . . 25.0 109.725 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.16 -24.84 64.12 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -87.38 -30.56 20.67 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.2 p -75.92 -22.76 55.7 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -173.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 41.9 mt -111.79 42.5 1.72 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.896 0.379 . . . . 25.0 110.55 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -86.64 160.04 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.993 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 365' ' ' ILE . 0.8 OUTLIER -60.19 -46.09 95.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 114.952 -1.022 . . . . 25.0 112.637 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.77 -36.91 81.34 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -152.58 103.01 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 111.337 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.69 115.17 22.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.371 0.605 . . . . 25.0 110.369 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -113.38 91.93 3.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.563 1.173 . . . . 25.0 110.317 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 81.3 t -59.21 -38.79 76.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.121 -1.4 . . . . 25.0 111.052 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -64.48 -46.82 81.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.71 -38.91 86.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 120.966 -0.293 . . . . 25.0 110.941 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.6 -41.36 92.87 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.825 -0.75 . . . . 25.0 110.047 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.58 -45.68 88.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.7 -0.482 . . . . 25.0 109.7 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -60.08 -43.11 95.74 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.924 0.392 . . . . 25.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.77 -37.41 78.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.383 0.611 . . . . 25.0 110.618 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.67 -30.43 52.04 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.89 -0.506 . . . . 25.0 110.582 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.14 -42.76 59.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.099 -0.376 . . . . 25.0 111.76 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.09 -33.22 74.13 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.71 -40.67 92.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.71 74.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.561 0.344 . . . . 25.0 110.986 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.2 m -83.62 -19.37 35.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.96 148.74 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.716 0.769 . . . . 25.0 110.309 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -78.78 58.03 2.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.998 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.93 141.89 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 46.7 p -109.44 167.13 10.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 121.401 -0.812 . . . . 25.0 111.462 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -58.3 -36.02 72.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.558 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -73.91 -32.24 63.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.678 -0.638 . . . . 25.0 110.882 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -66.12 -39.28 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.52 87.92 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.282 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.76 -39.96 86.58 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.18 -0.325 . . . . 25.0 111.29 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -74.43 -16.18 60.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -119.66 51.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.067 0.461 . . . . 25.0 110.366 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m -65.21 -29.67 70.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.908 0.861 . . . . 25.0 109.987 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.9 -40.87 94.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.983 -1.008 . . . . 25.0 111.263 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.5 ttp -65.61 -30.65 71.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.214 0.53 . . . . 25.0 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.42 -34.94 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 11.1 m -65.24 -39.65 92.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.231 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 61.0 m -62.3 -42.68 99.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.4 0.28 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.03 -38.68 86.98 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.957 -0.464 . . . . 25.0 110.028 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.23 -36.31 83.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.517 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -60.55 -37.78 82.35 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.073 -0.392 . . . . 25.0 111.471 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.52 -13.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -63.47 -10.55 18.07 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.2 -1.562 . . . . 25.0 112.532 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.61 -10.81 50.37 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.979 0.362 . . . . 25.0 111.979 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' B' ' 412' ' ' ILE . 41.2 t80 -80.25 93.04 5.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 177.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -97.19 -8.03 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.35 -43.27 70.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.346 1.029 . . . . 25.0 111.383 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 27.0 t -143.53 120.19 11.14 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.92 -24.83 63.44 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.96 -35.78 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.931 -0.48 . . . . 25.0 112.226 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' B' ' 406' ' ' PHE . 19.0 mt -71.6 -43.35 71.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.421 -0.799 . . . . 25.0 110.736 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -67.19 -29.68 69.42 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.398 -0.521 . . . . 25.0 110.562 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -46.25 64.65 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.181 -0.324 . . . . 25.0 110.384 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.59 -37.86 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.508 0.67 . . . . 25.0 110.881 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 39.0 p -75.81 -32.75 59.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.7 t -74.35 -28.43 61.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.368 0.985 . . . . 25.0 109.676 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.1 ttp -61.75 -47.9 83.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.59 -38.62 74.05 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.508 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.09 -39.0 84.59 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.67 -0.644 . . . . 25.0 109.533 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.73 -37.66 82.51 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.756 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -60.5 -39.94 89.58 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 122.881 0.473 . . . . 25.0 111.063 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.7 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 123.09 1.424 . . . . 25.0 114.446 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.88 -37.21 76.06 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.557 1.143 . . . . 25.0 110.695 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -37.71 86.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.934 0.397 . . . . 25.0 111.162 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -74.24 -37.16 63.86 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.95 -39.16 93.52 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.878 0.37 . . . . 25.0 111.286 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -66.42 -38.17 86.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -64.12 -42.84 96.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.69 -0.404 . . . . 25.0 110.685 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.65 -41.35 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -60.81 -41.6 96.0 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.018 0.372 . . . . 25.0 110.614 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.92 85.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 25.0 110.544 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.91 -42.87 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.67 -46.68 78.21 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.875 -0.516 . . . . 25.0 109.849 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -59.12 -34.54 72.16 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.0 m -82.11 -16.64 49.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.548 1.314 . . . . 25.0 114.548 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.55 22.94 10.49 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.153 0.978 . . . . 25.0 110.194 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 151.73 33.8 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 113.969 -1.469 . . . . 25.0 111.833 -176.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.4 pt -72.86 -7.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.794 0.684 . . . . 25.0 111.716 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -81.67 -23.57 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.695 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.0 t30 171.68 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.133 1.373 . . . . 25.0 108.114 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 127.15 34.17 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.475 -0.765 . . . . 25.0 112.56 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -121.7 87.36 2.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.709 1.243 . . . . 25.0 110.931 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.28 -41.93 85.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-N 114.099 -1.409 . . . . 25.0 110.945 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -65.54 -41.21 93.31 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.021 -0.424 . . . . 25.0 110.789 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -64.77 -37.18 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.496 0.188 . . . . 25.0 111.497 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.17 -40.02 96.32 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.257 -0.577 . . . . 25.0 109.93 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.51 -43.3 90.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.41 -37.8 88.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.725 0.239 . . . . 25.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.84 94.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.437 0.637 . . . . 25.0 110.86 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.95 -37.76 79.04 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.58 -34.73 76.32 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.724 -0.61 . . . . 25.0 111.04 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -61.05 -45.5 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -37.51 87.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.686 0.755 . . . . 25.0 110.252 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.7 -28.71 67.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.01 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 37.5 m -83.65 -15.09 50.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.42 138.61 31.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.555 0.693 . . . . 25.0 112.077 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -83.77 76.61 9.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 50.8 t -74.8 120.78 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.2 p -68.83 155.7 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.63 -30.38 69.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.787 -0.57 . . . . 25.0 111.161 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.87 -43.57 83.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.226 0.536 . . . . 25.0 109.767 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.78 -37.38 76.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.13 98.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.78 -40.0 94.53 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.683 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.2 -32.44 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.714 -0.616 . . . . 25.0 110.856 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -101.75 43.53 1.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m -65.83 -24.66 66.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.61 -42.58 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.416 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 62.5 ttp -68.11 -28.62 67.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.885 0.85 . . . . 25.0 110.172 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 26.8 mm -69.6 -31.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.7 m -69.98 -37.5 75.76 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.855 -0.528 . . . . 25.0 109.762 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.45 -42.88 99.78 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 122.152 -0.343 . . . . 25.0 110.35 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.38 -37.2 80.02 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.622 0.725 . . . . 25.0 110.451 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -66.36 -34.93 79.07 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.873 -0.517 . . . . 25.0 110.904 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -68.06 -54.28 19.44 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -17.45 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -174.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -64.11 -8.22 11.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -96.97 -12.89 22.77 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.28 90.24 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.245 0.545 . . . . 25.0 110.118 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -76.24 -5.73 48.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.77 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 t -76.28 -31.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.043 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.2 m -139.14 119.15 13.4 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.091 0.948 . . . . 25.0 111.865 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -73.79 -25.34 60.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.53 -38.88 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.483 -0.761 . . . . 25.0 110.087 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.71 -43.7 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.301 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ptm -65.57 -35.92 82.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.604 -0.685 . . . . 25.0 111.35 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.65 -48.63 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.793 -0.567 . . . . 25.0 111.9 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.19 -33.21 74.01 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.134 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 42.5 p -70.78 -33.49 70.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.3 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -67.79 -42.95 80.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 64.6 ttp -58.79 -47.41 84.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.715 0.293 . . . . 25.0 110.61 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.87 -38.45 86.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.744 0.276 . . . . 25.0 111.744 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.61 -39.94 93.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -71.38 -35.27 71.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.475 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.67 -42.58 93.19 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 114.676 1.362 . . . . 25.0 114.676 -179.168 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 N--CA 1.507 2.421 0 N-CA-C 116.205 1.928 . . . . 25.0 116.205 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -62.77 -38.03 89.01 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.629 -1.294 . . . . 25.0 110.042 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 62.8 p -68.09 -26.13 65.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.904 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.92 -37.35 67.25 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.498 -0.481 . . . . 25.0 109.945 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.97 -36.94 85.6 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.143 0.497 . . . . 25.0 110.844 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -66.29 -42.83 87.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 25.0 111.207 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.54 -38.89 79.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -57.24 -42.13 80.87 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.957 -0.464 . . . . 25.0 110.321 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.86 98.6 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.737 -0.602 . . . . 25.0 110.224 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.54 -31.33 72.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 111.576 0.213 . . . . 25.0 111.576 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.3 mm -58.68 -45.48 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -68.52 -35.59 77.67 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.254 -0.43 . . . . 25.0 111.855 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.99 -32.8 67.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.224 -0.443 . . . . 25.0 111.856 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 82.8 p -72.61 -23.85 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.0 54.55 1.08 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 122.006 0.908 . . . . 25.0 109.427 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.8 163.99 23.99 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.466 -0.788 . . . . 25.0 110.148 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -30.43 8.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -77.72 -33.48 53.05 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.803 0.811 . . . . 25.0 111.599 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -166.6 148.2 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.513 -2.773 . . . . 25.0 103.513 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.95 153.15 40.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 118.433 0.56 . . . . 25.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -125.87 113.36 17.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.043 0.925 . . . . 25.0 111.014 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.33 -46.27 96.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.496 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.28 -40.57 90.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.218 -0.29 . . . . 25.0 110.218 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.96 -41.07 77.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.085 0.469 . . . . 25.0 110.552 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.33 -43.62 81.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.54 -40.18 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -44.64 88.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.836 0.454 . . . . 25.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.29 99.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.054 0.454 . . . . 25.0 110.803 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.96 -33.42 75.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.248 -0.283 . . . . 25.0 110.376 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.2 -41.97 69.6 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.172 0.51 . . . . 25.0 111.885 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -63.12 -40.16 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.551 . . . . 25.0 110.38 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -35.63 81.36 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.826 -0.546 . . . . 25.0 111.094 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.68 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 51.0 m -82.38 -14.89 54.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.76 152.07 27.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.779 0.799 . . . . 25.0 112.302 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -78.2 57.29 1.82 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.852 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 25.8 t -79.0 104.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.345 0.593 . . . . 25.0 109.849 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.6 p -78.11 163.93 25.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -61.29 -31.72 71.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -72.53 -32.23 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.487 -0.758 . . . . 25.0 110.883 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -70.69 -36.54 73.34 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.57 87.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.62 -37.09 84.95 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.947 0.403 . . . . 25.0 111.437 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.66 -16.76 61.21 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.836 -0.54 . . . . 25.0 111.586 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -113.71 44.74 1.56 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.281 0.632 . . . . 25.0 110.182 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.9 m -64.34 -23.93 67.47 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.798 0.808 . . . . 25.0 109.948 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.68 -47.38 84.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.166 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.8 ttp -66.4 -35.25 79.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.556 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.0 mm -65.59 -37.56 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.7 m -66.32 -37.23 84.9 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.1 m -64.49 -43.72 93.25 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.012 -0.43 . . . . 25.0 110.934 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.41 -37.19 82.57 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.518 0.675 . . . . 25.0 109.885 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.9 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 25.0 111.736 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.38 -36.0 82.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.697 -0.627 . . . . 25.0 111.415 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 7.7 mt -61.93 -13.01 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -59.26 -12.28 5.27 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -13.85 39.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.178 -0.326 . . . . 25.0 111.059 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -78.98 101.4 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -106.6 -2.53 21.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.16 -38.15 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 -172.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 6.4 m -127.61 120.09 27.37 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.637 -0.665 . . . . 25.0 109.867 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.86 -35.99 79.91 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.19 -36.23 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 121.673 -0.642 . . . . 25.0 111.418 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.32 -48.52 80.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 O-C-N 121.566 -0.709 . . . . 25.0 109.183 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.6 ptm -70.38 -31.69 69.05 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.639 -0.824 . . . . 25.0 112.23 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.74 -40.74 69.17 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.205 0.912 . . . . 25.0 111.352 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.76 -35.01 74.57 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.702 -0.624 . . . . 25.0 110.2 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.2 m -64.77 -41.25 96.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -66.77 -40.41 88.19 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -48.0 83.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.123 0.169 . . . . 25.0 110.802 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.58 -43.89 88.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.598 0.237 . . . . 25.0 110.934 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -60.18 -39.67 87.32 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.634 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -67.16 -46.41 74.11 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 122.071 -0.393 . . . . 25.0 110.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -34.19 64.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.723 0.409 . . . . 25.0 111.216 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -177.037 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.502 2.146 0 CA-C-O 122.655 1.217 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -30.89 71.93 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.287 -1.508 . . . . 25.0 110.188 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.7 m -59.84 -29.23 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.611 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -72.48 -49.84 30.27 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.27 -40.9 83.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -60.08 -47.15 87.09 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.683 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.38 -44.52 87.32 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.92 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.3 -46.95 95.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.82 -36.17 82.32 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.233 -0.292 . . . . 25.0 111.468 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.36 91.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.08 -37.76 86.25 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.449 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.57 -52.74 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -65.41 -37.14 86.04 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 120.716 -0.394 . . . . 25.0 110.922 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.92 -28.07 60.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.2 m -68.34 -30.84 69.89 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.298 1.222 . . . . 25.0 114.298 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 36.3 mt -116.86 45.57 1.82 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.746 0.784 . . . . 25.0 109.485 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -99.25 156.98 16.7 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.852 . . . . 25.0 109.849 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -24.07 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.487 0.66 . . . . 25.0 111.731 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.19 -40.0 78.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -164.12 81.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.75 127.82 32.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -134.55 104.94 6.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.227 1.013 . . . . 25.0 109.694 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.97 -33.39 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 115.127 -0.942 . . . . 25.0 111.427 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.17 -37.89 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -62.04 -36.78 82.62 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.846 -0.342 . . . . 25.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 26.2 t -63.97 -38.01 89.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.711 -0.396 . . . . 25.0 110.387 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.43 -44.78 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 122.032 -0.417 . . . . 25.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.66 -42.11 95.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.928 0.394 . . . . 25.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.06 84.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.464 0.649 . . . . 25.0 110.51 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.42 -34.58 74.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.112 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -40.44 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.941 0.4 . . . . 25.0 111.165 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -62.26 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.638 0.733 . . . . 25.0 110.089 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.54 -26.67 64.61 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 120.964 -1.085 . . . . 25.0 111.572 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.3 69.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.007 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 90.5 p -89.01 -23.44 22.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.64 143.88 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.17 0.804 . . . . 25.0 113.17 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.18 58.54 2.06 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.013 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.66 126.69 38.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 35.1 p -81.09 159.64 24.68 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.05 0.452 . . . . 25.0 109.855 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.5 ptm -64.27 -27.37 69.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.537 -0.727 . . . . 25.0 111.853 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.92 -30.04 58.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 25.0 110.891 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.02 -43.59 74.47 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.03 77.66 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.956 0.408 . . . . 25.0 111.045 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.33 -39.35 90.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.251 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.21 -35.91 30.73 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.875 -0.516 . . . . 25.0 110.819 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -84.92 37.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.459 -0.2 . . . . 25.0 110.459 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 98.7 m -71.39 -23.02 61.8 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.32 -33.57 75.81 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.562 -0.711 . . . . 25.0 111.481 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -67.89 -29.27 68.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.5 -26.06 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.913 -0.492 . . . . 25.0 109.679 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.6 m -65.26 -42.38 93.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.507 -0.746 . . . . 25.0 109.188 173.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 45.1 m -65.25 -41.35 94.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.51 -0.313 . . . . 25.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.78 -46.76 86.52 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -57.86 -31.98 67.21 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -58.14 -38.54 76.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 25.0 110.064 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.411 ' H ' HG13 ' B' ' 403' ' ' ILE . 4.8 mt -65.73 -13.77 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -62.63 -12.38 22.85 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.372 -1.455 . . . . 25.0 112.471 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -83.02 -19.13 37.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.17 0.588 . . . . 25.0 111.083 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -73.87 110.05 7.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -100.16 -2.85 33.02 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -2.49 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -169.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.1 t -147.79 122.58 9.93 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.465 -0.772 . . . . 25.0 111.222 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -68.29 -31.45 70.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.69 -41.81 93.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.27 -43.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.265 -0.574 . . . . 25.0 110.844 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 ptp -69.94 -32.76 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.499 -0.88 . . . . 25.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.76 -47.53 68.98 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.893 -0.505 . . . . 25.0 111.006 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.15 -44.36 95.73 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.118 -0.364 . . . . 25.0 110.707 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.9 p -66.14 -30.32 70.79 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.34 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 88.5 m -65.28 -39.11 92.15 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.146 0.43 . . . . 25.0 111.059 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -60.37 -46.72 88.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.32 -38.24 84.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.1 -45.15 79.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.88 -42.82 69.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.723 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.25 -37.49 83.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.849 0.356 . . . . 25.0 111.491 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -173.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.796 1.76 . . . . 25.0 114.933 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.88 -32.71 74.54 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 120.735 -1.228 . . . . 25.0 109.658 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 34.0 p -59.95 -36.42 77.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -72.93 -40.19 65.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.208 -0.597 . . . . 25.0 109.831 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.73 -39.75 95.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.94 -41.79 96.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.215 -0.303 . . . . 25.0 110.715 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -61.53 -44.69 96.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.088 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.5 -47.39 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.106 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.54 -36.53 84.51 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.973 -0.454 . . . . 25.0 111.702 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.58 87.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -64.43 -41.4 96.61 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.64 -40.24 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.94 -0.475 . . . . 25.0 110.394 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -59.89 -29.2 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -97.0 -33.07 11.69 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 80.3 p -67.59 -16.29 64.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 68.1 mt -115.47 24.87 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 366' ' ' ASP . 1.4 ptmt -116.96 161.18 19.78 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 118.129 0.422 . . . . 25.0 110.076 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.8 pt -66.69 -6.07 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 117.514 2.413 . . . . 25.0 117.514 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 364' ' ' LYS . 4.6 m-20 -61.41 -39.92 92.5 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.298 0.57 . . . . 25.0 110.021 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -175.74 74.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 105.974 -1.862 . . . . 25.0 105.974 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.68 123.67 19.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.639 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -126.44 100.45 6.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.517 1.151 . . . . 25.0 111.034 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.0 -40.16 79.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 114.232 -1.349 . . . . 25.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -70.75 -42.01 71.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -66.41 -27.51 67.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.818 -0.753 . . . . 25.0 111.043 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.3 t -67.59 -42.41 82.51 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.865 173.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.41 -40.46 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.33 -45.33 84.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.876 0.369 . . . . 25.0 110.91 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.07 94.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.527 . . . . 25.0 111.106 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.7 -29.95 69.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 25.0 110.647 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.38 -39.45 62.71 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.203 0.525 . . . . 25.0 111.212 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -35.53 80.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.229 0.538 . . . . 25.0 110.188 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.74 -36.46 73.15 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.32 -32.46 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 61.0 m -79.49 -17.45 54.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.031 0.443 . . . . 25.0 111.241 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.38 135.29 36.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.478 0.656 . . . . 25.0 109.693 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -79.67 69.58 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.421 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.86 117.43 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 65.9 p -79.38 163.33 24.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.721 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 21.8 ptp -63.99 -27.05 68.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.741 -0.599 . . . . 25.0 111.252 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -68.19 -38.72 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 25.0 109.856 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.48 -35.62 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.47 87.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.313 0.578 . . . . 25.0 110.444 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.75 -38.26 90.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 25.0 111.171 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -78.0 -25.25 47.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -121.18 44.97 2.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.308 0.575 . . . . 25.0 110.642 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 45.6 m -64.22 -14.25 54.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.631 0.729 . . . . 25.0 110.646 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -29.47 63.93 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 172.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.85 -27.92 66.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.208 -0.933 . . . . 25.0 110.098 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 34.5 mm -68.77 -38.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.3 m -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -64.75 -47.26 78.88 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.762 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.72 -35.76 77.17 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.896 0.379 . . . . 25.0 110.891 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.79 -37.86 88.94 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.244 -0.285 . . . . 25.0 111.336 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -69.05 -41.27 77.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.323 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.02 -18.21 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -56.84 -13.96 3.04 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -85.9 -6.3 59.09 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.12 76.29 1.76 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.912 0.863 . . . . 25.0 112.049 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.65 -23.65 66.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.877 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -19.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -176.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 47.1 t -144.53 119.86 10.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 O-C-N 121.264 -0.897 . . . . 25.0 112.631 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -74.85 -23.84 58.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.449 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.37 -42.9 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.12 -43.2 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.2 ttm -58.7 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.722 0.268 . . . . 25.0 111.722 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.23 -45.0 78.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.03 -43.01 99.89 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.701 -0.8 . . . . 25.0 110.97 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 p -67.45 -36.33 80.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.862 -0.524 . . . . 25.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.8 m -68.37 -41.87 79.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 25.0 110.96 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.3 ttp -62.06 -45.99 91.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.12 -36.81 80.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.631 0.253 . . . . 25.0 111.16 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.24 -45.63 90.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -70.35 -31.5 68.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.3 -31.45 71.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.959 0.503 . . . . 25.0 110.859 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 113.874 1.065 . . . . 25.0 113.874 -177.236 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.8 ttp . . . . . 0 N--CA 1.513 2.712 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -62.82 -41.38 99.28 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.162 -0.961 . . . . 25.0 108.98 -176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 18.3 m -71.29 -26.13 62.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.971 -0.456 . . . . 25.0 111.94 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.66 -40.99 72.69 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.66 -41.47 96.08 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.73 -41.42 81.78 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.67 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.6 96.69 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 122.002 -0.436 . . . . 25.0 110.337 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.96 -42.71 96.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.38 -41.92 97.89 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.735 -0.603 . . . . 25.0 110.525 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.43 87.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.535 . . . . 25.0 110.164 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.61 -41.85 95.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.147 0.498 . . . . 25.0 110.202 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.44 -38.54 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.825 -0.547 . . . . 25.0 110.128 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.18 -23.2 67.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.483 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.13 -32.65 10.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.342 0.401 . . . . 25.0 112.059 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 61.1 p -72.84 -22.4 60.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -172.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 29.8 mt -108.41 26.79 10.05 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 121.171 -0.212 . . . . 25.0 111.568 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -76.46 143.69 40.36 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 33.0 pt -65.53 -22.61 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.86 -34.31 33.82 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -147.06 62.49 1.18 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.6 OUTLIER -72.3 124.86 25.98 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 122.073 0.94 . . . . 25.0 112.952 -173.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -115.5 96.59 5.71 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 122.43 1.11 . . . . 25.0 109.404 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -44.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 114.334 -1.303 . . . . 25.0 111.55 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.47 -40.63 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.659 0.742 . . . . 25.0 112.432 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.67 -28.74 70.11 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.712 -0.618 . . . . 25.0 112.007 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.1 t -71.13 -38.13 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.429 -0.509 . . . . 25.0 111.347 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.28 -42.1 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.48 -43.12 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.675 0.75 . . . . 25.0 110.204 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.39 80.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 45.1 mt -75.18 -27.78 59.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.491 . . . . 25.0 110.924 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -40.87 48.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -59.35 -41.21 88.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.522 0.677 . . . . 25.0 109.19 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -34.67 74.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 25.0 111.057 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.37 -30.59 70.43 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.137 -0.352 . . . . 25.0 111.073 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.7 t -79.63 -31.99 41.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.879 0.872 . . . . 25.0 112.174 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.17 153.08 44.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.06 75.03 2.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.047 -0.979 . . . . 25.0 110.959 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.28 116.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.2 p -101.21 173.01 6.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.05 -34.58 75.1 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.0 -35.85 80.87 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.975 -0.453 . . . . 25.0 110.856 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.44 -36.21 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.371 -0.831 . . . . 25.0 109.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.04 -34.23 77.6 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.888 -0.508 . . . . 25.0 110.413 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.925 -0.484 . . . . 25.0 110.552 175.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.92 -33.61 75.95 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.642 0.734 . . . . 25.0 110.895 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -124.37 61.89 1.12 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.725 -0.67 . . . . 25.0 110.796 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.9 m -70.08 -20.04 63.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.275 1.036 . . . . 25.0 108.625 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.97 -28.69 70.26 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.169 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.6 ttm -62.39 -41.48 98.68 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.8 -43.12 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -63.2 -38.66 92.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.554 . . . . 25.0 111.563 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 42.8 m -68.0 -48.4 65.84 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.079 -0.388 . . . . 25.0 110.075 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.47 -38.06 76.78 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.361 0.6 . . . . 25.0 110.628 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -57.76 -33.36 68.41 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.546 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.04 -40.99 52.18 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.068 -0.395 . . . . 25.0 111.895 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.3 mt -65.33 -17.88 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.48 -10.91 13.27 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.912 -1.118 . . . . 25.0 112.467 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -83.7 -14.8 50.86 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.43 72.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -73.34 -12.89 60.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.544 0.738 . . . . 25.0 111.494 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.58 -29.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.797 -1.092 . . . . 25.0 110.189 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -144.11 116.37 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 67.8 mt-30 -64.19 -32.77 74.48 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -172.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.4 -37.21 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.658 0.742 . . . . 25.0 111.578 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.97 -48.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.416 -0.803 . . . . 25.0 109.778 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 27.7 ptm -68.84 -30.92 69.56 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.153 -1.019 . . . . 25.0 110.577 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.21 -44.49 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.891 0.769 . . . . 25.0 111.635 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -67.1 -39.12 86.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 118.58 0.627 . . . . 25.0 109.997 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 55.5 p -69.34 -35.78 76.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.348 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.1 m -68.83 -39.07 80.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.778 0.717 . . . . 25.0 109.325 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.8 ttp -60.9 -47.53 85.99 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 110.483 -0.191 . . . . 25.0 110.483 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.43 -37.54 83.17 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 122.147 -0.346 . . . . 25.0 111.299 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.77 -42.55 93.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.936 0.398 . . . . 25.0 110.134 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.0 -37.96 72.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.165 -0.334 . . . . 25.0 111.658 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.35 -37.92 73.33 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.258 0.551 . . . . 25.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 -177.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.427 1.64 . . . . 25.0 115.427 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -51.78 -50.6 60.42 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.361 -0.837 . . . . 25.0 112.188 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.7 m -59.76 -30.77 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -73.44 -38.17 65.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.669 -0.644 . . . . 25.0 109.669 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.58 -40.04 92.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -63.88 -37.24 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -61.53 -43.9 98.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.217 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.22 -40.33 82.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.086 -0.384 . . . . 25.0 110.548 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.82 95.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.233 -0.284 . . . . 25.0 110.233 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.53 -39.59 91.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.981 0.419 . . . . 25.0 110.427 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.49 -40.73 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.569 -0.707 . . . . 25.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.8 -38.85 86.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.023 -0.423 . . . . 25.0 110.244 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -78.35 -30.42 48.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -76.75 -22.51 53.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.445 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.4 mt -114.71 47.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 25.0 110.648 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.07 160.15 15.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.731 0.412 . . . . 25.0 111.87 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 48.9 pt -75.82 -15.57 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.15 -42.64 25.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -163.6 113.39 1.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 104.578 -2.379 . . . . 25.0 104.578 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.2 tt -100.61 116.04 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.276 0.56 . . . . 25.0 112.265 -174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -101.27 93.45 5.44 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 122.323 1.058 . . . . 25.0 110.51 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.4 -43.37 82.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.658 -1.155 . . . . 25.0 111.22 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.73 -42.26 86.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.067 -0.395 . . . . 25.0 111.69 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 25.0 111.758 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.75 -41.48 98.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.71 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.5 mt -65.88 -41.76 90.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.37 -46.9 86.53 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.116 0.484 . . . . 25.0 110.913 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.33 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 25.0 111.175 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.11 -36.76 85.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.122 -0.361 . . . . 25.0 110.537 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.19 -37.62 72.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.11 -41.81 93.39 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.083 0.468 . . . . 25.0 110.337 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.45 77.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 25.0 110.327 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.15 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.231 -0.293 . . . . 25.0 111.314 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 26.5 t -79.69 -18.71 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 25.0 111.823 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.38 139.5 47.88 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.919 0.866 . . . . 25.0 113.17 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -83.45 71.1 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.914 -1.039 . . . . 25.0 109.666 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.02 118.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.7 p -76.4 160.28 29.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.6 ptm -57.27 -33.51 67.7 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.04 -42.59 84.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.186 0.517 . . . . 25.0 110.337 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.27 -34.64 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.85 89.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 25.0 110.227 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.03 -38.21 66.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.208 0.528 . . . . 25.0 111.326 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -67.04 -36.05 81.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -98.33 67.08 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.91 0.862 . . . . 25.0 110.429 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -22.77 60.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.151 -0.931 . . . . 25.0 111.183 -172.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.26 -29.08 64.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.572 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.05 -35.05 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.781 -0.645 . . . . 25.0 109.944 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -60.5 -42.93 97.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 22.4 m -62.87 -45.4 92.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 119.548 -0.263 . . . . 25.0 110.984 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.32 -39.17 72.33 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.347 0.594 . . . . 25.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.34 -34.86 79.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.82 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.03 -43.75 61.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.11 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -10.98 17.84 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.499 -0.75 . . . . 25.0 111.81 176.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -81.03 -12.4 59.35 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -67.74 80.46 0.19 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -69.04 -23.36 64.05 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.926 1.29 . . . . 25.0 111.764 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -23.31 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.2 t -145.54 120.07 9.74 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -64.53 -29.89 70.92 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.673 -0.694 . . . . 25.0 110.513 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.44 -40.82 87.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 O-C-N 122.29 -0.256 . . . . 25.0 111.075 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.84 -43.51 82.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.671 -0.643 . . . . 25.0 111.059 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 ptm -69.8 -30.34 67.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 119.759 -0.776 . . . . 25.0 110.535 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -69.68 -46.14 66.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.675 -0.641 . . . . 25.0 110.858 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.32 -45.55 93.96 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 110.389 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 21.7 p -63.36 -38.24 90.37 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.183 -0.607 . . . . 25.0 111.021 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -40.05 88.59 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.087 -0.383 . . . . 25.0 110.39 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -43.37 98.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.319 . . . . 25.0 110.606 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.04 -38.0 81.99 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.173 -0.329 . . . . 25.0 110.239 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.28 -40.39 93.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.547 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.82 -41.12 97.93 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.45 0.167 . . . . 25.0 111.45 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 C-N-CA 120.924 -0.311 . . . . 25.0 111.343 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . 0.412 ' HG3' HE22 ' B' ' 389' ' ' GLN . 14.6 tpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.67 -31.4 72.4 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.107 -1.62 . . . . 25.0 110.046 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -30.27 69.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.563 . . . . 25.0 111.318 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -68.58 -44.53 74.22 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.16 -41.63 97.07 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.727 0.299 . . . . 25.0 110.392 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.17 -37.75 86.39 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.902 -0.319 . . . . 25.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.39 -43.96 96.08 Favored 'General case' 0 C--O 1.211 -0.928 0 O-C-N 121.592 -0.693 . . . . 25.0 110.264 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.6 mt -64.4 -41.06 91.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -60.17 -40.9 91.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.793 -0.567 . . . . 25.0 111.251 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.56 -35.06 76.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 25.0 110.618 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.9 -30.23 71.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 119.447 -0.311 . . . . 25.0 110.372 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.75 -44.6 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -65.51 -40.52 93.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.388 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.74 -31.68 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 50.8 m -75.01 -22.66 58.37 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.84 50.75 1.92 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -77.5 158.88 29.72 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 123.305 0.642 . . . . 25.0 111.78 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -35.29 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.54 145.01 3.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 103.561 -2.755 . . . . 25.0 103.561 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 pp -145.84 152.55 39.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.922 0.783 . . . . 25.0 111.406 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.28 118.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.499 1.142 . . . . 25.0 112.275 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.35 -41.72 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 113.794 -1.548 . . . . 25.0 110.374 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.85 -39.27 80.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.909 -0.495 . . . . 25.0 111.993 -175.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.605 0.241 . . . . 25.0 110.569 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 16.8 t -66.08 -41.79 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.928 -0.309 . . . . 25.0 110.658 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.87 -43.35 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.47 -44.81 93.37 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 111.73 0.27 . . . . 25.0 111.73 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.19 89.19 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.489 0.662 . . . . 25.0 111.508 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.53 -33.1 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.027 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -33.35 57.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.417 -0.513 . . . . 25.0 112.312 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.72 -44.79 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -36.05 81.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.106 -0.331 . . . . 25.0 110.106 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.44 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.749 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.4 t -79.93 -23.29 41.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 25.0 112.004 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.47 146.94 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.495 0.664 . . . . 25.0 111.63 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.02 64.18 3.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.326 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.11 143.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.8 p -111.89 164.67 12.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 25.0 112.154 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 17.4 ttt -59.65 -38.31 81.06 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.218 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.39 -30.04 68.87 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.966 -0.694 . . . . 25.0 111.485 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.412 HE22 ' HG3' ' B' ' 348' ' ' MET . 81.9 mt-30 -71.65 -37.32 70.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.61 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.9 91.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.96 0.41 . . . . 25.0 111.047 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.2 -25.42 64.32 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.984 -0.447 . . . . 25.0 112.151 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -118.84 44.43 2.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.522 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -63.89 -21.67 66.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.526 1.155 . . . . 25.0 108.613 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.85 -42.78 85.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.538 -0.755 . . . . 25.0 112.27 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -72.31 -25.31 61.52 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.551 -0.718 . . . . 25.0 110.583 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.22 -34.74 68.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -70.32 -38.25 74.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.175 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.4 m -62.1 -42.21 99.0 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.915 -0.491 . . . . 25.0 111.254 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.73 -35.81 75.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.879 0.309 . . . . 25.0 110.324 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.29 -33.85 76.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.744 -0.207 . . . . 25.0 111.038 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -66.59 -38.71 87.59 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.734 -0.604 . . . . 25.0 112.105 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.6 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 -171.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -10.91 30.25 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.175 -0.953 . . . . 25.0 111.549 172.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -80.77 -25.77 37.7 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 119.38 -0.343 . . . . 25.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -69.21 110.17 4.45 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -106.1 -7.1 18.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.29 1.589 . . . . 25.0 115.29 -172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.93 -30.84 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 25.0 111.022 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -135.79 120.78 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.83 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.686 0.625 . . . . 25.0 112.686 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.83 -32.85 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.585 0.707 . . . . 25.0 110.629 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.92 -47.95 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.862 -0.524 . . . . 25.0 110.243 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -70.01 -30.31 67.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.6 -0.84 . . . . 25.0 111.2 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.81 -41.98 58.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.106 -0.996 . . . . 25.0 111.309 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.47 -36.15 78.57 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.576 -0.703 . . . . 25.0 111.477 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.8 p -67.5 -37.24 82.52 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.944 -0.702 . . . . 25.0 109.981 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -67.84 -39.16 83.88 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -60.33 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.94 -43.73 98.23 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 122.19 -0.319 . . . . 25.0 111.372 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.45 -44.52 80.57 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.463 0.649 . . . . 25.0 110.55 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -70.11 -35.77 74.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.864 -0.523 . . . . 25.0 111.906 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -64.38 -34.19 77.58 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 25.0 111.875 176.555 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.04 -46.82 75.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.97 0.908 . . . . 25.0 109.504 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 p -60.99 -29.35 69.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.53 -39.16 62.53 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 121.396 -0.815 . . . . 25.0 109.842 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.608 -0.515 . . . . 25.0 109.608 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -62.82 -40.54 97.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.745 0.307 . . . . 25.0 111.009 176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -63.21 -43.66 97.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 111.076 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.57 -41.27 88.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -57.77 -42.03 83.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.088 -0.383 . . . . 25.0 111.508 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.88 97.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 25.0 110.351 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -63.65 -35.8 81.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.408 . . . . 25.0 110.734 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.45 -39.14 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.047 -0.408 . . . . 25.0 110.185 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -65.17 -37.61 87.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.054 -0.658 . . . . 25.0 110.258 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -76.26 -34.26 59.14 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 88.4 p -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 83.0 mt -135.28 30.86 3.23 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.984 0.421 . . . . 25.0 111.309 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -68.04 163.05 23.19 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 120.668 0.271 . . . . 25.0 110.7 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 36.5 pt -93.31 -7.62 10.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 116.722 -0.217 . . . . 25.0 110.827 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.77 -33.1 25.09 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.573 0.702 . . . . 25.0 111.983 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 11.6 t30 175.21 144.37 0.06 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 102.309 -3.219 . . . . 25.0 102.309 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.79 154.9 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.76 1.392 . . . . 25.0 114.76 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -104.47 101.6 11.27 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.65 -0.704 . . . . 25.0 110.732 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.36 -44.54 75.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.044 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -66.05 -37.48 85.94 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.64 -34.54 78.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.318 0.508 . . . . 25.0 110.249 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.91 -43.43 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.193 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.76 -43.8 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.43 -39.08 93.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.087 0.47 . . . . 25.0 111.138 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.964 0.411 . . . . 25.0 110.428 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.65 -42.52 91.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.274 -0.421 . . . . 25.0 110.218 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.33 -39.48 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 25.0 111.858 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.05 -42.08 93.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.796 0.331 . . . . 25.0 110.492 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -35.9 77.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.045 0.45 . . . . 25.0 110.543 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.27 75.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -12.76 59.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 136.71 52.97 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.292 1.044 . . . . 25.0 113.492 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -83.24 60.06 5.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.34 -1.3 . . . . 25.0 108.858 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.62 139.81 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.679 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 60.5 p -81.01 162.3 23.88 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.114 0.483 . . . . 25.0 110.375 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.6 ttt -61.48 -41.24 96.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.601 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.25 -34.72 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.154 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -68.78 -39.15 80.34 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.167 -0.613 . . . . 25.0 110.26 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.08 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -64.26 -33.49 75.94 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 122.454 0.301 . . . . 25.0 111.682 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -75.72 -28.94 58.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -101.57 46.96 0.92 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m -64.36 -27.41 69.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.95 0.881 . . . . 25.0 109.414 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.99 -33.37 74.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.392 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -64.69 -34.4 78.21 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.601 -0.687 . . . . 25.0 109.486 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.9 mm -67.79 -35.04 71.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -63.52 -40.28 96.62 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.125 -0.36 . . . . 25.0 110.034 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 9.3 m -59.63 -49.16 78.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.52 -46.68 88.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.12 0.486 . . . . 25.0 110.618 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -49.79 -40.97 43.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -61.63 -44.36 97.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 23.4 mt -54.41 -18.05 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -57.59 -21.81 41.19 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.907 -1.12 . . . . 25.0 112.287 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -82.43 -7.75 59.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -74.73 72.34 2.0 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 166.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -72.65 -2.03 18.51 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.788 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.426 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.9 OUTLIER -71.11 -29.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.518 -177.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 46.5 t -124.88 120.15 30.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -72.95 -30.24 63.71 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.1 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.66 -39.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.681 -0.637 . . . . 25.0 110.705 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.42 -43.79 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.465 -0.494 . . . . 25.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.82 -27.86 64.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 119.398 -0.921 . . . . 25.0 111.113 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.61 -45.92 77.57 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.619 -0.676 . . . . 25.0 110.218 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.59 -38.95 92.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 50.3 m -60.67 -35.94 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.226 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . 0.494 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 38.4 m -68.17 -37.03 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.979 -0.45 . . . . 25.0 111.449 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.1 -42.74 99.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.41 -37.69 74.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 119.308 -0.377 . . . . 25.0 111.657 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 24.4 m-85 -57.48 -42.66 83.09 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.62 -36.04 82.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 25.0 110.558 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -177.179 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . 0.401 ' HB3' HE22 ' B' ' 389' ' ' GLN . 35.6 p-10 -62.73 -36.85 84.33 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.792 -177.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.2 t -60.1 -42.1 93.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.948 0.404 . . . . 25.0 111.419 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -66.27 -41.39 89.95 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.915 -0.714 . . . . 25.0 109.267 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.88 -40.35 92.67 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.006 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -59.42 -41.37 89.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.213 -0.304 . . . . 25.0 111.511 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -62.9 -44.46 96.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.14 -43.67 98.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -61.07 -38.05 84.85 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.975 0.416 . . . . 25.0 111.204 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.69 80.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.882 0.372 . . . . 25.0 110.022 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.73 -41.91 90.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -73.21 -43.3 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.91 -0.494 . . . . 25.0 111.413 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.17 -41.06 97.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.9 p -73.35 -11.39 60.47 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 64.0 mt -114.56 15.83 17.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.823 0.344 . . . . 25.0 111.363 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -77.77 142.88 38.38 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 34.4 pt -68.27 -12.87 16.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.761 0.791 . . . . 25.0 111.473 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.07 -36.1 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.609 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -168.42 65.75 0.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.634 -0.876 . . . . 25.0 108.634 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 125.19 26.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.442 . . . . 25.0 112.178 -173.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -128.42 103.29 7.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.292 1.044 . . . . 25.0 110.575 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.43 -39.96 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.002 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.82 -43.97 82.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 120.831 0.348 . . . . 25.0 110.384 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.22 -31.73 72.74 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.982 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.9 t -62.75 -43.26 99.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -43.77 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.462 -0.336 . . . . 25.0 110.489 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -39.23 92.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 122.059 -0.401 . . . . 25.0 111.854 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.83 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.453 0.644 . . . . 25.0 110.313 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.58 -37.5 73.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.405 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.5 -32.08 64.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.78 -25.53 61.2 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 120.987 -1.071 . . . . 25.0 108.938 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -39.36 75.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.57 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.567 0.347 . . . . 25.0 111.845 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 13.5 t -79.29 -18.49 52.57 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.634 0.73 . . . . 25.0 109.762 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.35 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.147 0.499 . . . . 25.0 109.75 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.15 79.24 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.24 156.17 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.934 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.1 p -78.22 161.52 27.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -63.5 -26.1 68.56 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.735 0.302 . . . . 25.0 110.778 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.31 -39.77 94.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 25.0 109.908 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.401 HE22 ' HB3' ' B' ' 349' ' ' ASP . 15.8 mm100 -72.57 -35.47 67.97 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.99 92.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.53 -36.07 68.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 25.0 111.253 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.67 -31.99 73.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.557 0.694 . . . . 25.0 109.634 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -114.21 50.67 0.92 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.596 -0.729 . . . . 25.0 110.646 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 95.7 m -63.62 -22.76 67.07 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.122 0.963 . . . . 25.0 108.741 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.58 -33.46 68.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.353 -0.84 . . . . 25.0 112.425 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.87 -36.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.806 -0.559 . . . . 25.0 109.835 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.44 -39.96 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.9 m -63.75 -44.56 93.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.506 -0.554 . . . . 25.0 109.506 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 47.9 m -60.27 -45.46 93.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.057 0.392 . . . . 25.0 112.057 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.15 -35.77 76.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.41 0.624 . . . . 25.0 111.793 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -64.28 -34.79 78.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.528 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -72.29 -44.96 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -13.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.06 -17.01 50.12 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.36 -15.88 51.21 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -48.6 117.66 2.14 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.988 0.423 . . . . 25.0 110.485 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -96.03 -36.35 11.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.092 1.886 . . . . 25.0 116.092 -164.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.23 -9.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 114.991 1.478 . . . . 25.0 114.991 -170.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.3 t -143.75 120.45 11.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.4 0.619 . . . . 25.0 110.495 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -76.06 -9.78 58.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 25.0 111.65 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.35 -41.94 86.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.603 -0.686 . . . . 25.0 109.777 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.58 -42.43 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 122.372 -0.205 . . . . 25.0 111.504 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.6 ptm -65.95 -33.47 75.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.526 -0.734 . . . . 25.0 110.531 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -72.38 -44.38 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -63.05 -39.36 94.51 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.664 -0.648 . . . . 25.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.2 p -70.23 -39.98 74.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 2.3 t -72.96 -28.81 62.63 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.818 -0.551 . . . . 25.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.5 ttp -60.81 -48.91 79.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.941 0.4 . . . . 25.0 110.216 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.66 -43.36 93.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 25.0 110.03 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -57.36 -40.44 78.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.13 -0.487 . . . . 25.0 110.737 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.06 -42.08 89.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.618 -0.265 . . . . 25.0 111.461 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.0 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.976 -0.29 . . . . 25.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 -179.086 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.312 1.529 . . . . 25.0 114.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.32 -36.78 85.23 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.073 -0.967 . . . . 25.0 111.357 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.1 m -61.71 -30.91 71.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.509 0.671 . . . . 25.0 111.05 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -77.49 -36.41 52.72 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.778 -0.576 . . . . 25.0 110.589 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.26 -38.5 85.23 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.64 -0.424 . . . . 25.0 110.209 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.66 -42.36 98.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.066 -0.254 . . . . 25.0 110.347 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.29 -44.83 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.184 -0.322 . . . . 25.0 111.479 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -41.25 86.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.01 -41.22 96.12 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.045 -0.409 . . . . 25.0 112.043 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.02 87.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.622 0.725 . . . . 25.0 110.587 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.63 -28.61 69.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.125 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.91 -45.95 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 121.727 0.775 . . . . 25.0 110.423 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.48 -35.12 78.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.297 -0.561 . . . . 25.0 111.72 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . 0.406 ' HA ' ' HE3' ' B' ' 364' ' ' LYS . 87.3 m-20 -70.1 -32.79 70.99 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 56.6 p -88.04 -5.6 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.8 41.97 3.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.381 0.61 . . . . 25.0 111.537 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 361' ' ' ASN . 99.4 mttt -71.12 172.55 8.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.849 -0.614 . . . . 25.0 109.884 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.907 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.53 -36.19 16.53 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.911 1.449 . . . . 25.0 114.911 -170.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.39 105.3 5.9 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 2.1 pp -133.76 154.89 50.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -117.84 105.2 11.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.263 0.554 . . . . 25.0 110.863 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.92 -45.01 87.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 114.969 -1.014 . . . . 25.0 111.999 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -71.46 -36.68 71.28 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.399 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -62.96 -34.75 78.18 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.864 -0.522 . . . . 25.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.81 -41.23 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.371 0.605 . . . . 25.0 110.437 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -46.52 94.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.106 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.73 -44.59 93.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.118 0.485 . . . . 25.0 111.337 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.89 97.51 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.253 0.549 . . . . 25.0 110.568 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.49 -41.37 76.2 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.897 -0.502 . . . . 25.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.29 -37.56 83.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.948 0.34 . . . . 25.0 111.711 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -64.06 -39.89 95.06 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.531 -0.731 . . . . 25.0 109.881 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -32.08 73.48 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.278 0.561 . . . . 25.0 110.676 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.38 71.93 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.515 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 24.9 m -79.56 -20.78 46.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 114.217 1.191 . . . . 25.0 114.217 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.53 131.06 41.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.34 0.591 . . . . 25.0 112.121 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.12 55.97 3.32 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.686 0.755 . . . . 25.0 109.704 174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.79 134.73 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.8 p -81.87 160.22 23.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.274 0.559 . . . . 25.0 112.003 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -62.34 -28.36 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.87 -33.95 68.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.278 0.561 . . . . 25.0 111.006 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -78.85 -35.28 44.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.299 -0.876 . . . . 25.0 110.328 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.69 68.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.704 0.402 . . . . 25.0 110.986 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.6 -32.26 65.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.96 0.504 . . . . 25.0 112.248 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.04 -7.04 53.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.29 43.09 3.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.29 -0.414 . . . . 25.0 112.063 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -64.6 -29.01 70.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.939 0.876 . . . . 25.0 109.706 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -62.77 -35.75 80.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.794 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.48 -31.17 71.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.194 0.521 . . . . 25.0 110.077 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.41 -38.33 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -64.42 -40.87 96.6 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.6 m -60.79 -45.07 95.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 119.602 -0.237 . . . . 25.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.17 -38.93 71.58 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.1 0.476 . . . . 25.0 110.602 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.83 -31.63 72.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 25.0 112.074 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.54 -36.84 71.11 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.21 0.459 . . . . 25.0 111.217 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.51 -17.57 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -171.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -12.52 15.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.777 -1.202 . . . . 25.0 112.79 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.25 -14.17 50.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.28 95.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.505 -0.747 . . . . 25.0 112.134 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -100.03 6.11 45.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.93 -24.85 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -150.85 119.98 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.39 -25.25 64.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.609 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.91 -37.44 54.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-O 121.79 0.805 . . . . 25.0 110.48 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.11 -42.21 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 121.948 -0.47 . . . . 25.0 112.16 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -68.54 -30.98 69.89 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.518 -0.739 . . . . 25.0 110.438 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -67.61 -52.49 37.74 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.46 -41.76 98.61 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.137 -0.352 . . . . 25.0 111.64 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.2 p -64.92 -36.89 85.84 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.744 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 59.3 m -65.57 -39.44 91.67 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.58 -43.14 97.85 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 122.135 -0.353 . . . . 25.0 110.714 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.2 -38.21 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.144 -0.347 . . . . 25.0 111.568 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -62.11 -38.61 89.53 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -67.89 -32.86 73.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.02 -33.4 74.29 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 115.243 1.571 . . . . 25.0 115.243 -177.554 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.38 -57.59 11.61 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.061 -1.024 . . . . 25.0 113.061 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.5 m -64.77 -28.23 69.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.829 -0.545 . . . . 25.0 112.46 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -66.19 -46.93 75.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.41 -37.98 71.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.673 -177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -55.36 -47.02 76.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.636 0.255 . . . . 25.0 110.433 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -63.83 -44.8 92.14 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.623 -0.431 . . . . 25.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.24 -43.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.78 -40.44 92.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.621 0.248 . . . . 25.0 111.28 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.9 87.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.858 0.361 . . . . 25.0 110.568 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.99 -30.2 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.358 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.65 -44.82 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.08 -41.01 67.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -37.53 87.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.7 p -77.59 -10.64 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.453 1.279 . . . . 25.0 114.453 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.22 15.83 11.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -81.85 157.04 24.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.007 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.82 -21.11 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.231 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.06 -33.42 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.576 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -170.42 95.35 0.23 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.514 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.47 116.09 16.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -127.54 92.88 3.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.789 1.28 . . . . 25.0 109.905 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.09 -41.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.112 -1.403 . . . . 25.0 111.19 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.43 -38.6 74.6 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.155 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -61.21 -37.83 84.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.007 0.432 . . . . 25.0 110.635 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.4 t -65.14 -42.68 93.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.305 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.88 -43.85 97.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.734 0.302 . . . . 25.0 110.707 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.44 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.33 0.586 . . . . 25.0 110.728 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.26 -38.51 75.13 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.943 -0.473 . . . . 25.0 111.005 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -74.81 -26.92 60.06 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.953 -0.467 . . . . 25.0 111.327 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.89 -41.77 92.32 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 170.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -37.49 81.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.71 -24.9 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 25.0 111.439 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.0 m -84.0 -8.34 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.529 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.0 mt -96.77 136.08 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.709 . . . . 25.0 110.874 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.17 62.14 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.623 0.725 . . . . 25.0 110.947 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.08 121.02 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.1 p -87.21 165.74 15.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.779 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 19.9 ptp -62.29 -26.54 68.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.624 0.249 . . . . 25.0 111.257 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.75 -39.7 80.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 25.0 110.207 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.02 -34.35 61.89 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.65 74.05 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 122.181 -0.325 . . . . 25.0 110.581 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.39 -20.61 66.45 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.85 -15.16 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.415 0.626 . . . . 25.0 110.775 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -127.86 45.0 2.82 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -26.73 66.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 122.303 1.049 . . . . 25.0 111.013 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -69.19 -29.04 66.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.577 -1.192 . . . . 25.0 111.253 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.7 ttp -67.83 -31.97 72.18 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.39 -35.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.3 m -62.19 -41.43 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.4 m -62.83 -45.73 91.22 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.151 -0.343 . . . . 25.0 110.915 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.72 -36.24 76.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.481 0.658 . . . . 25.0 111.059 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -61.77 -34.5 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.808 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.83 -55.31 5.95 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -25.71 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 116.515 2.043 . . . . 25.0 116.515 -164.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -62.02 -10.86 11.03 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -81.09 -17.47 49.91 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -49.62 107.5 0.15 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.475 0.655 . . . . 25.0 112.388 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -65.69 -31.95 73.24 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.116 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.53 7.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 115.422 1.638 . . . . 25.0 115.422 -163.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.0 t -148.42 119.95 7.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.92 0.867 . . . . 25.0 112.619 173.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.61 -24.2 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.61 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.97 -39.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 121.869 -0.519 . . . . 25.0 109.629 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.02 -42.23 95.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.67 -30.63 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.077 -1.049 . . . . 25.0 112.28 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -46.76 60.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.685 0.675 . . . . 25.0 110.047 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.62 -47.37 85.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.258 0.552 . . . . 25.0 111.588 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 44.4 p -65.42 -36.52 84.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.633 -0.427 . . . . 25.0 111.01 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.9 m -69.54 -41.87 75.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.968 -0.458 . . . . 25.0 110.262 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 22.7 ttt -58.16 -51.34 70.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.995 0.426 . . . . 25.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.62 -43.88 88.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.406 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.08 -43.03 95.77 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.525 -0.47 . . . . 25.0 110.218 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -64.56 -39.73 94.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.161 -0.337 . . . . 25.0 111.034 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.87 -45.12 90.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -175.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 116.22 1.933 . . . . 25.0 116.22 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -52.81 -55.09 25.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.473 1.109 . . . . 25.0 112.78 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.3 m -65.48 -28.09 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.94 -43.02 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.24 -37.53 85.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.639 -0.255 . . . . 25.0 110.503 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.69 -45.05 86.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.21 -0.196 . . . . 25.0 110.537 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -65.04 -43.92 90.78 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.816 -0.353 . . . . 25.0 111.517 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.15 -44.73 99.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -58.83 -43.15 90.62 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.127 -0.358 . . . . 25.0 110.74 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.2 -40.32 94.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.638 0.256 . . . . 25.0 110.734 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 25.0 110.078 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.25 -41.65 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.947 -0.47 . . . . 25.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -61.44 -28.54 69.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -95.24 -20.74 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 97.3 p -68.56 -25.95 65.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.638 0.977 . . . . 25.0 113.638 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.04 48.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.389 0.614 . . . . 25.0 110.562 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.69 170.5 8.13 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.402 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.57 -35.27 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.361 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.18 -39.94 64.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.915 0.886 . . . . 25.0 112.173 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -173.54 130.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.14 111.05 22.57 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.357 0.599 . . . . 25.0 109.801 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -105.07 84.79 2.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.31 -47.03 78.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.872 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -70.78 -33.67 70.99 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -59.54 -38.84 82.12 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.52 -44.31 94.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.64 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.51 -47.39 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.391 -0.225 . . . . 25.0 110.391 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.17 -44.2 97.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.192 0.52 . . . . 25.0 111.159 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.59 99.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 25.0 110.489 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.13 -36.12 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.435 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -36.72 61.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -68.15 -34.43 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 118.483 -1.287 . . . . 25.0 107.692 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.8 -31.58 72.62 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.029 0.442 . . . . 25.0 110.758 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.61 69.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.436 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 m -84.01 -21.21 31.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.99 143.05 50.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -79.3 68.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.631 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 118.28 23.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.3 p -80.41 165.63 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.794 0.331 . . . . 25.0 110.251 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -60.74 -32.17 71.47 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 122.09 -0.381 . . . . 25.0 111.83 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.47 -35.88 80.05 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.771 -0.58 . . . . 25.0 110.494 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -69.37 -37.67 77.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.41 93.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.264 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -63.98 -42.13 97.32 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -66.9 -36.06 81.42 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.494 0.664 . . . . 25.0 110.902 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -104.16 45.37 0.96 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.656 -0.702 . . . . 25.0 109.477 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 93.6 m -67.58 -27.04 66.6 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.87 -29.02 69.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.12 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.5 ttp -69.88 -28.82 65.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.49 -38.53 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -62.31 -41.61 98.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.3 m -61.28 -46.16 91.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 119.279 -0.391 . . . . 25.0 111.626 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.25 -39.08 81.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.321 0.581 . . . . 25.0 110.129 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.531 . . . . 25.0 111.005 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -63.56 -37.65 88.14 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.356 . . . . 25.0 111.96 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.6 mt -61.07 -15.4 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 114.131 1.159 . . . . 25.0 114.131 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -60.02 -11.87 6.8 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.85 -1.156 . . . . 25.0 113.649 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -81.07 -22.23 39.4 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 122.063 -0.398 . . . . 25.0 111.12 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -75.84 89.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -98.25 4.27 48.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.121 0.486 . . . . 25.0 110.621 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.41 -29.69 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.179 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -147.05 120.11 8.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.039 0.447 . . . . 25.0 110.202 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -70.05 -26.67 64.13 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.823 1.416 . . . . 25.0 114.823 -174.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.07 -32.95 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.423 0.63 . . . . 25.0 111.195 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.14 -40.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 121.892 -0.505 . . . . 25.0 110.62 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 ptp -71.01 -30.8 67.13 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 119.234 -0.987 . . . . 25.0 110.326 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.13 -46.46 77.43 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.942 0.401 . . . . 25.0 110.535 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -64.67 -45.59 86.08 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.014 -0.429 . . . . 25.0 110.594 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 57.2 p -68.52 -35.23 77.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 5.6 t -72.97 -31.97 64.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.99 0.814 . . . . 25.0 110.181 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -65.69 -42.59 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.13 -43.36 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.315 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -55.48 -40.73 72.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.935 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -71.28 -31.67 67.75 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.82 -38.0 82.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.647 -0.658 . . . . 25.0 110.19 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -178.045 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.6 tpt . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.51 -41.83 66.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.778 1.231 . . . . 25.0 110.909 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.6 m -65.09 -29.82 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -77.61 -40.48 41.86 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 177.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 178.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -60.43 -43.39 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.005 0.366 . . . . 25.0 111.181 173.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -39.71 95.11 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.905 -0.318 . . . . 25.0 111.158 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.14 -43.33 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -58.85 -42.88 90.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.009 -0.432 . . . . 25.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.71 96.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.01 -41.69 99.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.59 -44.4 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.845 -0.535 . . . . 25.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -62.75 -34.08 76.48 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.43 -0.508 . . . . 25.0 112.146 179.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -88.41 -11.12 46.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.689 0.625 . . . . 25.0 112.689 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 89.4 p -77.51 -30.74 53.12 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.53 -0.732 . . . . 25.0 111.198 -178.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.71 63.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -111.38 152.79 26.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.12 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 -174.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.54 -32.88 73.9 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -172.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -161.12 94.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.06 117.99 22.67 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.79 -0.764 . . . . 25.0 112.265 -175.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -100.81 83.0 2.48 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.503 -175.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.5 t -53.29 -46.54 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 25.0 112.707 -177.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -68.77 -36.43 78.32 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.452 HH21 ' CD ' ' B' ' 375' ' ' GLU . 2.1 mmp_? -63.07 -32.33 73.68 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.554 -0.458 . . . . 25.0 110.616 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.7 -47.06 82.67 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.805 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.43 -44.84 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 372' ' ' ARG . 47.8 mt-10 -61.67 -44.67 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.504 0.193 . . . . 25.0 111.483 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.052 -0.405 . . . . 25.0 111.006 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.14 -41.17 90.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 178.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -69.86 -33.66 72.56 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.56 -46.53 89.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.271 -1.011 . . . . 25.0 108.271 174.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -30.89 69.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 25.0 111.043 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.89 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 177.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 17.4 m -80.27 -24.34 40.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -177.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.15 110.51 16.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.275 0.56 . . . . 25.0 111.532 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -79.32 74.99 5.91 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 174.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.33 156.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 55.1 p -77.1 161.25 28.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.083 0.468 . . . . 25.0 110.685 -177.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -65.66 -29.43 69.99 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.831 -0.543 . . . . 25.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 8.1 pm0 -71.96 -25.34 61.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.926 -0.484 . . . . 25.0 111.236 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.11 -33.78 63.7 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.262 -0.899 . . . . 25.0 108.987 175.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.61 78.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 175.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.68 -36.79 84.67 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.272 0.558 . . . . 25.0 110.96 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.91 -28.63 68.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.031 0.443 . . . . 25.0 111.299 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -116.34 47.89 1.35 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 25.0 110.89 -177.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 54.0 m -67.74 -26.18 66.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 176.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -59.81 -39.58 85.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 25.0 110.216 175.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 63.1 ttp -64.61 -27.53 69.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.951 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.33 -35.79 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.9 m -65.93 -39.67 90.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 173.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 26.5 m -59.07 -46.39 88.39 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.322 -0.236 . . . . 25.0 110.955 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 77.5 mt -59.93 -38.57 82.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.296 0.57 . . . . 25.0 110.966 176.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -33.03 74.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.847 -178.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -67.0 -42.12 85.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.908 0.322 . . . . 25.0 111.196 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 27.3 mt -61.78 -16.4 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -172.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -58.84 -13.84 7.28 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.777 -1.202 . . . . 25.0 113.094 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -12.06 46.15 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -74.55 75.98 1.97 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.302 1.049 . . . . 25.0 110.037 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -85.07 0.71 50.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.146 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.85 -21.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 123.758 0.661 . . . . 25.0 109.854 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.5 t -140.02 120.2 13.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 172.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . 0.435 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 7.0 mp0 -66.21 -31.58 72.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.068 -0.253 . . . . 25.0 111.048 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.92 -36.97 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.316 0.579 . . . . 25.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.26 -46.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.985 -1.072 . . . . 25.0 109.788 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 29.0 ptm -69.64 -30.79 68.58 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 119.092 -1.043 . . . . 25.0 111.665 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.78 -39.86 66.4 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.3 -0.875 . . . . 25.0 111.318 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.78 -44.63 73.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.901 -0.499 . . . . 25.0 109.992 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 33.1 p -62.67 -37.15 85.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.088 -0.645 . . . . 25.0 110.4 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -66.66 -40.08 88.46 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.991 -0.443 . . . . 25.0 110.923 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.96 -43.23 99.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.01 0.433 . . . . 25.0 110.807 177.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.46 -38.2 83.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.84 -36.05 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.95 -34.64 68.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.204 0.601 . . . . 25.0 112.074 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -177.632 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . 0.472 ' HB3' HE22 ' B' ' 389' ' ' GLN . 0.0 OUTLIER -63.36 -28.85 70.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 120.839 -1.163 . . . . 25.0 112.111 -177.43 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -30.24 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -73.22 -38.35 66.08 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.25 -36.42 84.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.447 -0.158 . . . . 25.0 110.689 178.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.45 -42.97 99.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.711 -0.478 . . . . 25.0 109.711 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.23 -40.63 86.38 Favored 'General case' 0 C--O 1.209 -1.039 0 C-N-CA 121.063 -0.255 . . . . 25.0 111.47 178.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.1 -43.99 98.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.556 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 177.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.63 -41.06 94.11 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.635 -0.666 . . . . 25.0 111.379 178.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.12 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.64 -35.55 80.89 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.827 0.451 . . . . 25.0 111.221 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.29 -44.85 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 176.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -63.85 -30.66 71.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.338 -0.851 . . . . 25.0 110.354 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.35 -12.16 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 96.6 p -94.0 -22.39 18.58 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.429 1.27 . . . . 25.0 114.429 -177.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.431 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 1.3 mp -115.48 23.06 12.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.783 0.801 . . . . 25.0 110.558 -179.718 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -81.0 157.88 25.35 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.671 -0.695 . . . . 25.0 109.603 175.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 49.2 pt -69.89 -21.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.43 -37.49 56.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.987 1.106 . . . . 25.0 113.987 -172.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.83 72.16 0.77 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.306 -1.368 . . . . 25.0 107.306 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.4 OUTLIER -72.36 128.9 37.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 25.0 109.832 -177.6 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -136.8 110.22 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 25.0 110.381 -179.184 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.38 -44.8 97.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.439 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.124 -0.36 . . . . 25.0 111.237 -176.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -57.07 -39.32 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.078 0.466 . . . . 25.0 110.619 178.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.92 -43.33 88.44 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.356 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.72 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.76 -39.38 87.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.61 0.226 . . . . 25.0 111.61 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.76 90.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.636 0.731 . . . . 25.0 110.081 177.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.51 -33.03 72.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.879 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.11 -32.49 63.22 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.071 -0.393 . . . . 25.0 112.006 -178.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.24 -40.76 95.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.853 0.835 . . . . 25.0 108.964 172.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -27.68 66.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 25.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.03 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.271 -0.268 . . . . 25.0 110.601 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 47.1 t -81.65 -32.79 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 25.0 111.235 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.4 135.2 52.81 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -81.85 72.55 8.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.456 -0.793 . . . . 25.0 110.612 177.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.38 119.85 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.9 p -74.24 162.88 28.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 23.2 ptp -63.31 -30.14 71.33 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.561 -0.455 . . . . 25.0 111.201 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.44 -35.26 75.5 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.234 0.54 . . . . 25.0 110.548 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' B' ' 349' ' ' ASP . 13.6 mm100 -70.75 -36.3 73.05 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.473 -0.767 . . . . 25.0 109.592 177.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.9 90.01 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 176.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.59 -38.48 91.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.293 0.568 . . . . 25.0 110.96 177.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.16 -36.01 64.07 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.302 0.573 . . . . 25.0 111.59 179.091 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -109.72 44.91 1.13 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.095 0.474 . . . . 25.0 110.589 -175.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 32.8 m -69.5 -21.57 63.67 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -177.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.18 -31.73 73.03 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.368 0.604 . . . . 25.0 111.998 175.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -69.73 -34.26 73.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 175.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 39.3 mm -68.37 -31.93 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.2 m -63.38 -47.0 83.86 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.736 -0.602 . . . . 25.0 109.608 174.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 28.4 m -63.56 -40.97 98.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.812 0.339 . . . . 25.0 110.948 177.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.48 -36.09 75.35 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.718 0.807 . . . . 25.0 111.442 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -63.6 -38.62 91.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.921 176.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.77 -31.98 65.28 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -174.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.431 ' H ' HG13 ' B' ' 403' ' ' ILE . 0.9 OUTLIER -61.11 -19.32 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-O 121.359 0.599 . . . . 25.0 112.169 -177.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -68.32 -11.12 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.632 -0.667 . . . . 25.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -83.53 -5.84 59.28 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.369 -0.207 . . . . 25.0 111.241 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.04 68.82 4.16 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.704 0.764 . . . . 25.0 108.976 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.04 -18.97 60.67 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -169.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.92 -16.12 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.203 0.446 . . . . 25.0 112.203 -177.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -129.09 116.52 19.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 122.042 0.925 . . . . 25.0 112.705 176.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.38 -36.81 68.8 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.364 -0.834 . . . . 25.0 112.584 -178.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.73 -37.7 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.609 -0.682 . . . . 25.0 110.897 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.66 -46.55 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.115 -0.366 . . . . 25.0 110.727 178.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.98 -30.05 68.39 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 119.753 -0.779 . . . . 25.0 110.499 -178.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.43 -49.86 56.86 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.021 -0.272 . . . . 25.0 111.161 176.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -61.05 -42.96 99.47 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.141 0.496 . . . . 25.0 110.433 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 25.0 p -69.17 -34.71 75.36 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.424 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.3 m -67.67 -40.14 84.48 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.604 -0.685 . . . . 25.0 110.238 176.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.7 ttp -59.97 -44.36 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.57 -38.88 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.811 0.338 . . . . 25.0 111.171 177.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -39.57 87.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.52 -34.76 70.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.126 0.489 . . . . 25.0 111.806 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.25 -32.6 73.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.706 0.403 . . . . 25.0 110.878 178.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.073 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.73 -51.54 68.44 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 120.753 -1.217 . . . . 25.0 111.076 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -64.96 -27.95 69.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.936 0.398 . . . . 25.0 111.937 -178.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.07 -45.39 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -41.54 87.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 25.0 109.993 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.29 -38.57 89.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.386 -0.196 . . . . 25.0 111.116 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -62.93 -41.96 99.64 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.263 -0.273 . . . . 25.0 111.095 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.98 -44.78 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . 0.444 ' HD2' HG21 ' B' ' 399' ' ' THR . 62.5 m80 -65.44 -27.57 68.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.746 -0.596 . . . . 25.0 112.414 178.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.97 89.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.48 -36.27 78.72 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.63 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.061 -1.025 . . . . 25.0 110.472 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.644 -0.66 . . . . 25.0 110.594 176.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.16 -31.37 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.697 0.628 . . . . 25.0 112.697 178.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.1 p -81.96 -13.46 57.43 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -172.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.6 mt -120.82 25.72 9.52 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.732 0.696 . . . . 25.0 110.399 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -79.56 170.18 16.94 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.521 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.55 -33.4 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -40.1 87.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -172.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -168.44 137.5 2.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.364 -2.828 . . . . 25.0 103.364 178.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.11 143.83 46.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.782 0.719 . . . . 25.0 110.562 -176.552 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -124.15 103.05 8.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.126 0.965 . . . . 25.0 109.569 -172.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.11 -43.63 81.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.399 -1.273 . . . . 25.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.65 -39.49 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.24 -0.288 . . . . 25.0 111.441 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -60.25 -39.21 85.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.17 -42.77 99.45 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.487 -0.485 . . . . 25.0 110.552 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.15 -47.32 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.07 -42.92 99.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 25.0 110.9 -179.067 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.14 88.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 25.0 111.204 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.81 -38.61 89.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 177.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -74.86 -26.95 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.68 -44.08 85.53 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 171.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -26.94 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.519 -0.764 . . . . 25.0 111.887 -178.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.54 69.56 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 176.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 32.4 t -79.29 -32.26 43.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.029 0.443 . . . . 25.0 110.157 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 69.7 mt -63.62 131.67 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.144 0.973 . . . . 25.0 111.307 178.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -83.16 71.2 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.864 -1.062 . . . . 25.0 109.479 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.04 123.17 30.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 43.9 p -78.67 163.73 25.2 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -178.009 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.4 ptp -62.32 -31.42 72.03 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.845 -0.534 . . . . 25.0 112.097 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.49 -37.71 74.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.285 0.564 . . . . 25.0 109.928 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -69.83 -38.31 76.5 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.99 90.32 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.07 -0.394 . . . . 25.0 110.287 177.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -64.17 -42.72 96.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 25.0 110.64 177.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -66.97 -35.94 81.08 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.471 0.653 . . . . 25.0 109.802 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.15 54.99 1.26 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.89 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 91.1 m -66.65 -20.42 65.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.8 -35.75 71.25 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.64 172.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 29.5 ttp -66.7 -39.64 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.859 -0.525 . . . . 25.0 109.797 177.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.01 -42.71 97.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.7 m -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.127 177.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . 0.444 HG21 ' HD2' ' B' ' 356' ' ' HIS . 33.7 m -65.1 -45.1 86.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.205 -0.309 . . . . 25.0 111.222 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.0 -36.41 81.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 25.0 110.963 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -58.7 -38.35 78.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 25.0 111.491 177.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.01 -46.44 74.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.932 0.396 . . . . 25.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.8 -18.07 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 25.0 112.065 -173.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.03 -10.99 11.44 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.223 -0.923 . . . . 25.0 112.964 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.97 -20.26 42.3 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 122.23 -0.294 . . . . 25.0 111.462 174.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -78.37 101.74 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -105.54 -7.78 18.41 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -12.04 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -176.411 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.1 m -142.12 120.0 11.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 167.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.63 -30.91 71.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.435 0.636 . . . . 25.0 110.819 -177.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.47 -40.45 84.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.716 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.06 -47.24 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 122.031 -0.418 . . . . 25.0 111.669 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.3 ptm -65.9 -30.07 70.6 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -78.96 -39.73 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 177.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.7 -44.53 96.01 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.264 -0.897 . . . . 25.0 108.754 175.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.1 p -65.29 -37.05 85.96 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.451 -0.5 . . . . 25.0 111.982 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.2 t -73.94 -30.86 62.77 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.891 0.768 . . . . 25.0 111.194 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.9 ttp -64.35 -45.47 87.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 176.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.676 0.274 . . . . 25.0 110.691 177.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -58.0 -44.56 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.86 -35.35 74.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 178.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -60.16 -30.9 69.63 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.151 0.58 . . . . 25.0 111.522 179.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.246 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 115.973 1.842 . . . . 25.0 115.973 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.15 -34.92 77.29 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 120.606 -1.309 . . . . 25.0 112.469 -176.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -59.38 -31.1 68.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.871 -0.518 . . . . 25.0 112.134 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.24 60.4 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.29 -41.25 81.26 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -176.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.86 -32.45 73.72 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.425 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -62.76 -43.13 99.6 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 177.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -44.76 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.288 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -59.23 -40.85 87.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.342 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.78 90.59 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.36 -0.213 . . . . 25.0 111.167 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.9 -40.1 87.63 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.74 -0.384 . . . . 25.0 109.982 178.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.97 -39.25 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.694 -0.629 . . . . 25.0 110.93 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -65.59 -19.63 65.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -98.99 -35.78 9.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.281 0.562 . . . . 25.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 81.1 p -75.78 6.15 5.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 116.449 2.018 . . . . 25.0 116.449 -173.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.4 mt -137.24 21.34 2.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.372 0.606 . . . . 25.0 110.565 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.13 163.87 27.16 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 18.5 tt -71.75 -36.7 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -175.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.73 -44.93 15.05 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -171.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -166.78 144.87 5.12 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 105.217 -2.142 . . . . 25.0 105.217 175.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 152.72 39.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.75 92.87 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.851 175.443 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.68 -47.3 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 120.937 0.398 . . . . 25.0 112.053 -176.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -67.15 -36.81 82.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -174.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -63.23 -30.57 71.69 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.375 -0.53 . . . . 25.0 111.097 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 3.8 t -65.98 -41.06 91.62 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.402 176.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.1 -40.83 90.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.94 -44.13 73.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 25.0 111.225 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.8 87.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.159 0.504 . . . . 25.0 111.096 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.34 -31.13 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.204 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.6 0.714 . . . . 25.0 110.389 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.5 -39.14 92.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.693 . . . . 25.0 109.619 178.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -36.63 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.405 . . . . 25.0 110.511 179.192 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.36 67.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.537 -0.301 . . . . 25.0 111.315 -179.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 33.3 m -84.05 -13.85 52.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.16 141.76 33.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.701 . . . . 25.0 112.492 -178.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.19 63.43 5.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.341 -0.845 . . . . 25.0 110.763 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.11 112.52 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.5 p -70.96 158.08 37.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 25.0 109.733 -177.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -33.84 72.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.514 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -67.14 -37.71 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.415 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -67.36 -42.93 82.66 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 178.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.15 85.24 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.689 0.28 . . . . 25.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -40.93 98.86 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.798 178.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -78.97 -32.62 45.39 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.152 0.501 . . . . 25.0 111.793 -178.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -89.35 48.74 1.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 25.0 110.241 -176.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.2 m -62.4 -24.49 67.42 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.192 0.996 . . . . 25.0 111.489 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -43.02 99.44 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.636 177.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.1 ttp -65.35 -34.26 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.718 -0.614 . . . . 25.0 110.451 177.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.14 -38.22 81.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.7 m -67.64 -39.84 84.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.403 177.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.1 m -60.47 -49.08 79.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.066 -0.397 . . . . 25.0 110.485 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.04 -37.22 79.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.229 0.538 . . . . 25.0 110.951 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.63 -37.14 85.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 25.0 111.527 177.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -68.35 -39.13 81.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -178.165 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.83 -18.09 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -171.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -53.67 -19.79 4.5 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -84.13 -9.38 58.63 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.26 85.22 1.41 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -176.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -74.41 -11.65 60.3 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.561 1.319 . . . . 25.0 114.561 -176.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.36 -31.27 52.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.92 -0.488 . . . . 25.0 110.979 -176.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.4 t -145.45 120.11 9.82 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.091 0.472 . . . . 25.0 109.829 174.165 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.38 -32.24 71.14 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.509 -178.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.3 -37.68 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.706 0.765 . . . . 25.0 110.805 -178.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.63 -46.43 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.7 ptp -69.28 -30.95 69.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.619 -0.832 . . . . 25.0 110.704 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.9 -48.72 70.52 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.2 -0.312 . . . . 25.0 110.622 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.09 -35.18 79.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.791 178.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.2 m -65.34 -41.49 93.85 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.639 178.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 60.6 m -68.38 -38.97 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.6 ttp -59.07 -48.49 81.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 177.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.34 -44.25 92.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.801 0.334 . . . . 25.0 111.353 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.35 -45.05 84.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.747 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 -33.42 69.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.807 0.299 . . . . 25.0 111.807 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.26 97.11 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 178.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 112.578 0.585 . . . . 25.0 112.578 -179.501 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 11.7 ttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.47 -42.38 74.26 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.692 1.197 . . . . 25.0 109.933 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.5 m -66.5 -35.11 79.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.181 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.67 -43.71 71.97 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.94 -40.46 96.5 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.7 179.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.554 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.0 tpt85 -68.86 -43.46 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.45 -42.96 94.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -57.01 -45.08 83.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.583 0.353 . . . . 25.0 110.953 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.42 95.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.623 0.249 . . . . 25.0 110.447 178.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.82 -43.09 99.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.587 -0.279 . . . . 25.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.85 -43.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.983 -0.448 . . . . 25.0 110.061 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.96 -21.72 66.29 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -101.48 -11.79 19.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.9 p -78.54 -24.14 45.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 19.7 mt -124.56 58.66 1.21 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.765 0.317 . . . . 25.0 111.703 -178.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -102.54 159.92 15.02 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 176.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.36 -17.32 20.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.223 176.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.76 -40.0 34.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.487 0.66 . . . . 25.0 110.343 178.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -155.96 125.5 6.32 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 177.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.91 111.23 19.35 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 -179.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.91 94.5 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.66 -47.86 72.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.689 -177.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -64.26 -37.7 88.43 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 112.751 0.649 . . . . 25.0 112.751 -178.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -60.12 -39.42 86.19 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 122.104 -0.372 . . . . 25.0 110.279 -177.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.52 -41.3 93.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.035 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.76 -48.36 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.63 -42.06 99.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 25.0 110.49 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.63 96.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.82 0.343 . . . . 25.0 111.012 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.5 mt -67.54 -38.37 84.08 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 122.111 -0.368 . . . . 25.0 110.539 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -74.63 -28.11 60.74 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.817 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.6 -46.36 90.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 171.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.23 -37.55 87.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.395 -0.82 . . . . 25.0 110.708 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.37 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -178.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.7 m -83.88 -19.25 35.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.524 0.515 . . . . 25.0 111.498 -177.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.5 mt -77.4 139.92 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.575 0.702 . . . . 25.0 111.404 178.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -82.64 75.18 9.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 174.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.01 109.22 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 68.8 p -71.0 163.53 27.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.298 0.571 . . . . 25.0 111.052 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.2 ptm -57.36 -35.35 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.86 -28.99 63.9 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.811 -0.556 . . . . 25.0 111.457 -179.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -74.06 -41.94 60.96 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 178.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.06 89.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.932 -0.395 . . . . 25.0 109.932 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.8 -45.69 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.202 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -72.28 -36.04 68.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.181 0.515 . . . . 25.0 111.873 -177.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -98.74 57.03 1.12 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -27.39 67.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.181 0.991 . . . . 25.0 109.801 -177.158 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.59 -31.65 72.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.624 -1.171 . . . . 25.0 111.383 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.1 ttp -66.04 -34.39 77.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 176.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 19.3 mm -69.66 -38.42 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.9 m -62.86 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.213 -0.292 . . . . 25.0 110.213 175.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.1 m -61.21 -44.93 96.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.275 -0.265 . . . . 25.0 110.927 177.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.47 -37.47 78.28 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.096 0.474 . . . . 25.0 111.253 177.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -61.53 -32.97 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.39 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.72 -43.13 60.04 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -17.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -169.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -11.05 8.43 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -81.07 -11.54 59.48 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 176.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -70.42 75.65 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.87 -19.55 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.991 -0.443 . . . . 25.0 111.981 179.006 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.2 OUTLIER -64.57 -18.75 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.67 0.619 . . . . 25.0 112.67 -177.258 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -144.49 119.98 10.35 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.407 -0.96 . . . . 25.0 108.407 171.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.28 -32.27 73.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.493 -0.776 . . . . 25.0 109.147 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.07 -44.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.621 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.34 -46.34 83.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 O-C-N 121.817 -0.552 . . . . 25.0 111.154 -178.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 26.5 ptm -68.06 -32.37 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.715 -0.794 . . . . 25.0 110.657 -178.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.16 -48.1 63.19 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.597 -0.689 . . . . 25.0 111.553 175.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -60.82 -43.53 98.1 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.173 -0.33 . . . . 25.0 110.46 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 45.5 p -68.26 -38.44 81.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.693 -0.403 . . . . 25.0 111.646 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -68.6 -39.9 80.69 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 122.117 -0.365 . . . . 25.0 110.154 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -61.1 -46.37 90.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.95 -44.08 90.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.669 0.271 . . . . 25.0 111.234 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.17 -43.5 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.201 -0.312 . . . . 25.0 111.766 -179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.5 -47.08 87.73 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 178.922 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.88 -49.96 75.8 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.172 -0.955 . . . . 25.0 108.915 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 27.1 p -61.22 -29.52 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.144 -0.935 . . . . 25.0 112.867 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -73.12 -44.64 59.95 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.332 -0.855 . . . . 25.0 109.43 179.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 54.3 mt -62.0 -37.83 86.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.84 -41.61 99.4 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.207 -0.308 . . . . 25.0 111.346 174.163 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -65.06 -39.74 93.71 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 118.025 0.375 . . . . 25.0 111.772 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.66 -40.14 85.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.35 -36.58 82.68 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 111.643 177.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.97 90.48 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.255 -0.278 . . . . 25.0 110.452 177.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.96 -42.02 81.53 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.93 -0.396 . . . . 25.0 109.93 177.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.3 -38.99 77.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 25.0 110.855 179.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -65.91 -22.66 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.151 -0.968 . . . . 25.0 112.803 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -98.6 -15.24 19.55 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -84.58 -20.98 30.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -173.235 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.489 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.8 mt -116.94 32.99 5.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.079 0.466 . . . . 25.0 109.761 177.767 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -75.73 151.97 37.54 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.526 -0.734 . . . . 25.0 111.032 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.6 pt -72.02 -25.58 24.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.497 -0.319 . . . . 25.0 111.629 176.174 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.74 -31.63 52.28 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -161.27 95.63 1.04 Allowed 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -175.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.1 tt -97.01 113.14 24.65 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 112.94 0.719 . . . . 25.0 112.94 -175.188 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -109.39 96.2 6.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.278 -178.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.03 -48.0 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.393 -0.821 . . . . 25.0 111.505 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.34 -30.46 64.76 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.768 -1.207 . . . . 25.0 114.039 -174.364 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -63.97 -33.98 76.95 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.578 177.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.8 t -68.12 -40.95 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.475 176.043 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.8 -43.67 97.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.06 -41.13 82.46 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.406 -0.517 . . . . 25.0 111.661 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.95 88.77 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.754 -0.591 . . . . 25.0 110.798 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 51.2 mt -72.5 -27.89 62.54 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.341 -0.39 . . . . 25.0 110.952 177.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -76.11 -43.62 42.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 110.965 -179.044 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.13 -24.27 61.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.09 -40.12 60.28 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 174.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.226 0.536 . . . . 25.0 111.942 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.7 m -81.88 -7.0 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.411 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.2 151.23 21.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.992 0.901 . . . . 25.0 111.512 178.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -98.07 130.17 44.88 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.592 -2.003 . . . . 25.0 105.592 171.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.59 128.39 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.761 -0.829 . . . . 25.0 108.761 -174.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 30.9 p -82.6 162.84 21.78 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.1 ptp -63.17 -28.98 70.42 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.771 -0.581 . . . . 25.0 111.446 178.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -69.23 -36.55 77.32 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.364 -0.535 . . . . 25.0 111.146 177.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.82 -36.13 64.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 178.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.07 83.77 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.81 -0.356 . . . . 25.0 110.055 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -64.22 -37.73 88.54 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.473 0.654 . . . . 25.0 111.374 176.14 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -65.68 -30.03 70.66 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.559 -0.713 . . . . 25.0 111.677 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -115.76 41.24 2.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.865 -175.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.4 m -63.98 -24.66 67.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.345 -0.847 . . . . 25.0 109.283 179.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.05 -43.31 81.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.491 1.139 . . . . 25.0 110.594 173.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 59.2 ttp -71.36 -35.49 71.16 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.823 -1.08 . . . . 25.0 110.894 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.08 -36.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 67.9 m -65.93 -42.91 89.48 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.086 0.469 . . . . 25.0 109.754 176.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.4 m -59.99 -44.51 94.46 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.046 -0.409 . . . . 25.0 110.972 174.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.48 -37.38 75.41 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.031 -0.418 . . . . 25.0 111.908 176.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -58.63 -35.54 72.67 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 178.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.49 -43.42 69.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 25.0 109.951 -178.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.59 -17.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.82 -173.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -57.06 -24.34 53.19 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.532 -0.73 . . . . 25.0 111.777 172.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -88.08 -9.03 54.6 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.172 0.805 . . . . 25.0 113.172 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.3 108.07 0.3 Allowed 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 177.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -87.77 -20.17 26.52 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -178.156 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.16 -28.75 33.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -169.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.0 m -142.92 126.7 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.371 -0.831 . . . . 25.0 112.54 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -64.58 -38.22 90.27 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 114.463 1.283 . . . . 25.0 114.463 -176.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.85 -36.49 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.376 -0.828 . . . . 25.0 109.564 -176.139 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.8 mt -66.87 -45.94 86.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-N 115.728 -0.669 . . . . 25.0 110.363 179.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -66.04 -38.17 87.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.329 0.968 . . . . 25.0 111.256 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -69.14 -47.36 65.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.358 . . . . 25.0 111.968 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.63 -35.38 78.82 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.204 -1.56 . . . . 25.0 111.475 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 87.7 p -68.24 -41.89 80.49 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.51 -0.876 . . . . 25.0 112.53 176.875 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 -27.99 63.59 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 119.614 -0.834 . . . . 25.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.1 ttp -62.57 -51.07 68.81 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.3 -39.37 78.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.393 -179.127 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -60.26 -40.94 92.12 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.076 -0.39 . . . . 25.0 110.735 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.16 -37.53 75.24 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.509 -0.476 . . . . 25.0 110.883 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -62.98 -37.88 88.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.866 0.365 . . . . 25.0 111.175 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.319 -0.742 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -176.356 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -57.31 -43.12 83.01 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 114.587 -1.188 . . . . 25.0 111.242 175.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.7 p -61.26 -35.29 76.88 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.224 -0.444 . . . . 25.0 111.713 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.93 -40.47 75.49 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 122.237 -0.29 . . . . 25.0 110.277 178.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.82 -41.45 97.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.734 0.302 . . . . 25.0 111.028 179.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -68.58 -39.48 80.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.727 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -62.91 -44.6 95.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.771 -179.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.97 -44.38 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.817 -0.438 . . . . 25.0 109.817 -177.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -70.86 -26.26 63.18 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.067 -1.02 . . . . 25.0 112.771 179.234 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.05 89.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.52 -0.919 . . . . 25.0 108.52 174.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -66.5 -39.91 88.94 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.385 177.558 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 90.2 mt -61.18 -41.71 90.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.908 -0.495 . . . . 25.0 109.99 177.028 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.43 -38.37 80.48 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.125 -0.36 . . . . 25.0 110.61 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -85.52 -23.81 27.56 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -175.474 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 84.0 p -73.69 -20.98 60.39 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.049 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 49.5 mt -113.23 28.55 8.7 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -95.67 158.18 15.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.85 -0.613 . . . . 25.0 109.966 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.9 pt -66.74 -11.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 176.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -38.9 89.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -173.28 96.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -177.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.12 114.89 15.29 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -178.116 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -123.65 96.22 4.88 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.991 0.901 . . . . 25.0 110.478 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.04 -41.58 91.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.233 -178.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.25 -50.75 71.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.753 -178.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.86 -36.51 74.72 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -175.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.8 t -63.26 -41.45 99.05 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.871 178.232 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.28 -42.05 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.692 -0.63 . . . . 25.0 109.909 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.79 -45.03 95.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.041 0.448 . . . . 25.0 110.099 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.33 93.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.616 0.722 . . . . 25.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.33 -36.82 85.2 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.786 -0.571 . . . . 25.0 111.047 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -71.19 -36.99 72.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.462 0.649 . . . . 25.0 110.839 -179.172 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.042 -0.411 . . . . 25.0 110.117 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.23 -28.96 62.46 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 121.096 -1.003 . . . . 25.0 110.958 178.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.01 65.1 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 122.11 -0.369 . . . . 25.0 111.001 177.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 56.1 m -84.21 -10.0 58.06 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 177.398 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 148.29 22.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 -176.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.63 83.64 7.83 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.941 178.087 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 56.3 t -81.5 114.4 22.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 52.3 p -83.14 166.87 18.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -177.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 92.4 mtp -55.77 -42.24 75.2 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.49 -40.54 80.88 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.396 -0.521 . . . . 25.0 111.163 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.33 -38.33 90.72 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.163 -0.336 . . . . 25.0 110.136 178.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 120.821 0.343 . . . . 25.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -71.64 -34.41 69.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.0 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -70.49 -25.72 63.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.182 -0.324 . . . . 25.0 110.907 -179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.05 43.66 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -176.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.9 m -66.41 -19.92 65.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.699 1.238 . . . . 25.0 110.539 178.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -65.22 -38.37 90.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.425 -0.797 . . . . 25.0 110.477 174.308 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -72.29 -29.18 63.63 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 179.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 51.6 mm -69.85 -34.97 62.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.9 m -64.21 -40.16 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.349 0.595 . . . . 25.0 109.532 175.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.4 m -63.23 -44.33 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.83 175.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -36.42 75.23 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 121.902 0.858 . . . . 25.0 111.078 178.734 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.9 -26.87 65.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.056 -178.004 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.2 -35.49 73.96 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.76 -0.588 . . . . 25.0 111.266 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.43 ' H ' HG13 ' B' ' 403' ' ' ILE . 1.1 mt -62.03 -13.21 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 114.118 1.155 . . . . 25.0 114.118 -177.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -62.56 -13.91 36.38 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.923 -1.111 . . . . 25.0 111.737 178.067 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -89.0 -9.8 50.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.5 89.7 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.386 1.088 . . . . 25.0 110.667 -179.449 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -80.34 -16.44 54.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.003 0.921 . . . . 25.0 113.127 -175.038 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -24.33 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 -175.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -143.02 116.91 9.34 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.738 0.78 . . . . 25.0 110.184 176.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -69.48 -27.98 65.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.962 -178.417 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -39.14 81.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 -47.11 89.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.164 -0.615 . . . . 25.0 110.808 179.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.9 -29.81 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.073 -0.651 . . . . 25.0 110.684 -177.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -69.43 -45.94 67.95 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.07 -0.393 . . . . 25.0 110.339 176.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -61.05 -38.03 84.74 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.449 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -66.02 -41.82 90.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 25.0 110.701 179.061 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 83.0 m -67.56 -38.53 84.26 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.979 0.419 . . . . 25.0 110.545 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.31 -48.53 81.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 25.0 110.724 176.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.43 -39.63 89.05 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.129 -0.357 . . . . 25.0 111.893 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.61 -40.69 97.55 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.962 -0.385 . . . . 25.0 109.962 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.55 -45.66 89.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.52 -40.08 85.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.493 0.663 . . . . 25.0 110.536 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.506 2.358 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -58.77 -34.86 71.9 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.117 -0.989 . . . . 25.0 111.612 -179.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 15.2 m -60.32 -32.77 71.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.11 69.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 176.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.35 -38.84 91.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.947 -177.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -62.85 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.341 -0.224 . . . . 25.0 110.847 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -63.31 -40.08 96.35 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.19 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.25 -42.41 84.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -60.75 -38.5 85.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.741 -0.6 . . . . 25.0 110.527 178.266 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.78 97.14 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.642 0.258 . . . . 25.0 110.582 177.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.95 -40.02 95.48 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 120.639 0.257 . . . . 25.0 110.532 178.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.91 -35.82 76.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.224 -0.923 . . . . 25.0 110.254 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -71.65 -15.39 62.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.947 -0.47 . . . . 25.0 112.02 177.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -101.06 -34.99 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.0 p -76.38 -7.15 54.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 115.412 1.634 . . . . 25.0 115.412 -171.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.41 28.04 5.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.275 0.489 . . . . 25.0 111.649 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -69.56 169.29 12.93 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 60.4 mt -72.43 -49.55 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.134 -177.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.34 -39.88 81.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -172.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -159.68 143.43 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 179.225 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.96 155.52 42.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.525 0.148 . . . . 25.0 111.396 -176.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -129.6 114.19 15.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.09 0.948 . . . . 25.0 111.016 -178.131 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.43 -44.29 98.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.056 -0.974 . . . . 25.0 111.733 -177.085 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.28 -44.21 84.18 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.991 -0.443 . . . . 25.0 110.983 -174.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -62.69 -32.37 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.014 -178.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.46 -42.36 83.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.791 -0.568 . . . . 25.0 110.944 175.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.79 -43.86 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.12 -41.99 99.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.949 0.404 . . . . 25.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.43 91.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 25.0 110.007 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 55.1 mt -68.02 -36.19 79.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.129 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.5 -39.65 81.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.978 0.418 . . . . 25.0 111.073 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.39 -40.01 92.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.443 0.639 . . . . 25.0 110.374 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -22.67 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.664 -0.648 . . . . 25.0 111.285 179.712 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.55 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 175.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.0 t -80.75 -33.13 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 25.0 111.663 -177.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.78 137.14 57.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.237 0.541 . . . . 25.0 112.458 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -77.96 127.13 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 172.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.73 132.27 50.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -177.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 62.7 p -86.6 162.72 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.099 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -32.91 72.71 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -29.17 60.44 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.818 -0.551 . . . . 25.0 111.939 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.46 -36.88 74.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 173.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.81 91.51 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.27 -38.14 89.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.8 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -67.01 -24.58 66.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.721 0.296 . . . . 25.0 110.893 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.28 44.18 1.6 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.154 0.582 . . . . 25.0 110.453 178.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 92.7 m -64.94 -25.51 67.91 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.08 -37.78 80.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.836 0.827 . . . . 25.0 111.681 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.9 ttp -70.72 -28.52 64.79 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.645 -0.659 . . . . 25.0 109.719 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.35 -36.95 77.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.2 m -62.46 -43.46 98.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 174.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.06 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.735 -0.211 . . . . 25.0 111.276 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.48 -39.09 82.59 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.939 0.4 . . . . 25.0 110.249 178.194 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.198 179.622 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -72.45 -40.82 66.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.92 -0.488 . . . . 25.0 110.888 178.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -14.59 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 114.524 1.305 . . . . 25.0 114.524 -172.18 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -63.05 -13.03 30.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.388 -0.82 . . . . 25.0 111.639 174.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -92.04 -5.95 51.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 176.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -76.65 76.01 3.32 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.465 0.65 . . . . 25.0 109.49 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -75.78 -8.33 56.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 -178.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.01 -29.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.033 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.4 m -142.19 119.26 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.523 -0.736 . . . . 25.0 110.13 171.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -68.27 -34.36 76.05 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 9.7 p -56.91 -33.17 41.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 122.052 -0.405 . . . . 25.0 111.426 178.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.72 -40.93 54.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 121.587 -0.696 . . . . 25.0 110.847 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.8 ptp -68.6 -31.38 70.52 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.07 -1.019 . . . . 25.0 109.57 178.265 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.91 -48.15 64.02 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.075 -0.391 . . . . 25.0 110.936 177.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -61.7 -43.37 98.98 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 62.0 p -69.06 -37.95 78.82 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.226 -0.59 . . . . 25.0 112.2 -176.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.2 t -73.19 -28.67 62.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.451 -0.781 . . . . 25.0 109.853 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 174.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.217 0.532 . . . . 25.0 110.734 178.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -61.7 -40.45 95.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -66.17 -38.9 89.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 110.64 178.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.42 -45.41 76.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.217 -0.651 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 179.299 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 115.663 1.727 . . . . 25.0 115.663 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.8 -50.08 72.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.547 1.165 . . . . 25.0 108.219 177.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -68.03 -25.1 65.21 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.504 177.438 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -66.67 -38.38 86.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.419 1.009 . . . . 25.0 109.132 174.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.56 -41.76 92.59 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.313 177.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -62.93 -32.59 73.92 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.081 0.467 . . . . 25.0 110.533 178.067 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.84 -46.57 84.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.051 0.929 . . . . 25.0 111.06 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.6 -42.97 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.994 -1.003 . . . . 25.0 108.472 -179.208 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -59.3 -37.68 78.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.55 85.36 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.795 0.331 . . . . 25.0 110.573 177.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.11 -23.0 65.78 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.912 -178.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.62 -48.09 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -69.1 -41.14 77.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.486 177.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.84 -31.79 73.19 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -175.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 19.7 m -80.83 -19.24 45.05 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.608 0.363 . . . . 25.0 111.206 -178.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.05 20.81 13.11 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.285 0.365 . . . . 25.0 111.741 -177.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -77.06 148.13 36.31 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.05 -20.82 26.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -175.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.65 -35.57 75.31 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.036 0.835 . . . . 25.0 112.511 -177.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -159.38 108.75 1.87 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 179.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.6 137.16 32.58 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 123.934 0.771 . . . . 25.0 109.629 -178.123 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -136.7 88.64 2.39 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.958 -1.019 . . . . 25.0 108.839 175.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.43 -42.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 114.457 -1.247 . . . . 25.0 109.814 -175.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -70.73 -36.14 73.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.9 -35.72 81.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.389 -0.819 . . . . 25.0 111.059 176.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.4 -40.66 97.22 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.483 -0.487 . . . . 25.0 109.857 174.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.9 -42.46 94.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 119.917 -0.713 . . . . 25.0 109.81 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.55 -36.64 79.07 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.137 -0.625 . . . . 25.0 112.652 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.31 89.74 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 82.6 mt -68.53 -40.34 80.79 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.79 -0.568 . . . . 25.0 110.801 175.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.09 -39.73 94.69 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.737 0.415 . . . . 25.0 110.461 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.78 -50.99 71.41 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.67 0.271 . . . . 25.0 110.563 175.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -29.11 70.15 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.324 0.583 . . . . 25.0 111.587 -177.458 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.36 -30.16 63.12 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 121.455 -0.778 . . . . 25.0 110.62 176.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 69.1 m -81.06 -23.03 38.8 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.37 145.42 49.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.55 0.69 . . . . 25.0 112.349 -178.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -108.77 67.14 0.65 Allowed 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.4 162.77 4.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 115.692 -0.686 . . . . 25.0 110.43 178.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 45.0 p -72.1 159.07 34.77 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 119.748 -0.781 . . . . 25.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 53.2 mtt -61.29 -37.24 82.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.463 0.649 . . . . 25.0 111.614 179.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.62 -35.93 75.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.35 -46.58 79.65 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.867 177.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.91 98.46 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 119.662 -0.815 . . . . 25.0 110.296 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.194 0.521 . . . . 25.0 112.368 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -78.45 -32.81 48.66 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.921 -0.487 . . . . 25.0 112.286 -176.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -83.63 50.44 1.8 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 178.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.5 m -64.99 -27.0 68.53 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.646 0.736 . . . . 25.0 110.611 177.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.99 -33.14 73.78 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.939 0.876 . . . . 25.0 110.445 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 67.5 ttp -69.02 -33.06 73.02 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 177.2 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.81 -30.31 37.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.355 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.7 m -62.01 -42.24 98.95 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 175.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 32.1 m -60.82 -45.23 95.25 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.499 -0.319 . . . . 25.0 110.22 177.381 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.75 -44.32 96.86 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -26.77 68.53 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.73 -36.18 70.4 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.925 -0.484 . . . . 25.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 4.7 mt -57.7 -15.87 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -177.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -57.77 -12.68 3.22 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.643 -1.286 . . . . 25.0 113.959 176.409 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -85.72 -8.02 58.43 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 118.616 -0.707 . . . . 25.0 112.617 176.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -63.87 78.74 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.633 0 O-C-N 123.688 0.618 . . . . 25.0 111.79 171.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.47 -7.68 53.79 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.395 -1.441 . . . . 25.0 111.5 -177.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.76 -34.69 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.88 -178.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 20.3 m -144.92 129.12 17.7 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 115.362 1.615 . . . . 25.0 115.362 177.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.66 -20.59 49.91 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.186 -0.915 . . . . 25.0 112.745 177.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.19 -42.73 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.879 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.69 -39.33 84.99 Favored 'Isoleucine or valine' 0 C--O 1.25 1.09 0 O-C-N 121.414 -0.804 . . . . 25.0 109.663 176.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.86 -39.61 94.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.9 -0.5 . . . . 25.0 111.778 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -42.4 86.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 25.0 111.277 177.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.99 -40.87 97.36 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.986 -0.686 . . . . 25.0 109.169 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 40.8 p -64.03 -28.77 70.02 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.5 -0.75 . . . . 25.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . 0.582 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 91.8 m -67.58 -38.8 84.56 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.681 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.5 -42.43 98.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.294 -0.262 . . . . 25.0 110.294 175.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.37 -37.27 77.51 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.738 -0.601 . . . . 25.0 112.073 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 22.3 m-85 -58.54 -39.94 81.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.357 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -72.84 -46.49 52.74 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.53 -0.271 . . . . 25.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -57.55 -44.71 85.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.317 0.647 . . . . 25.0 112.165 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 115.233 1.568 . . . . 25.0 115.233 -175.214 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 121.982 0.896 . . . . 25.0 112.628 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 88.52 174.92 47.35 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.482 -1.386 . . . . 25.0 111.178 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -116.65 136.45 52.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 45.6 t -152.35 92.37 1.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.053 0.221 . . . . 25.0 111.276 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.62 161.52 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 46.5 m -134.19 93.95 3.16 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.01 133.92 38.25 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 64.4 p 49.17 -141.32 0.66 Allowed 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 116.857 2.169 . . . . 25.0 116.857 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . 0.464 ' HB2' ' CD2' ' B' ' 406' ' ' PHE . 0.4 OUTLIER -120.79 111.76 17.98 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -67.26 113.55 5.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.827 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 165.18 -27.34 0.19 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -120.81 31.23 6.51 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.064 0.932 . . . . 25.0 110.744 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.61 -39.76 89.36 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -64.0 -28.41 69.79 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.477 0.656 . . . . 25.0 111.773 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 59.34 -2.64 0.11 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 117.781 2.512 . . . . 25.0 117.781 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.564 1.481 0 O-C-N 120.115 -1.616 . . . . 25.0 110.362 175.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.503 2.191 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -54.11 -57.89 9.38 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.513 0.725 . . . . 25.0 111.693 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.5 m -63.69 -25.15 68.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.69 0.757 . . . . 25.0 112.342 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -72.33 -41.74 66.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.87 -35.67 74.87 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.227 -0.286 . . . . 25.0 110.227 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.29 -44.61 84.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.168 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -61.66 -48.52 80.45 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.292 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.92 -44.48 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.722 0.296 . . . . 25.0 110.656 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -62.34 -38.79 90.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.036 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.68 85.73 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.99 -26.59 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.292 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.38 -50.94 78.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.295 0.569 . . . . 25.0 109.68 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -70.7 -27.06 63.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.6 -0.687 . . . . 25.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -75.18 -40.72 59.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 24.2 m -68.99 -31.39 70.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.1 mt -97.53 23.06 8.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.49 142.51 50.17 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 17.3 pt -68.35 -26.18 33.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 115.887 1.81 . . . . 25.0 115.887 -171.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.99 -39.09 72.64 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -154.99 73.74 0.89 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.96 123.62 21.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.035 -0.984 . . . . 25.0 113.159 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -98.54 100.2 11.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.252 1.025 . . . . 25.0 109.86 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.93 -46.76 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.244 -1.344 . . . . 25.0 111.659 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.88 -38.61 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.266 -0.574 . . . . 25.0 112.516 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.0 -37.46 74.32 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.286 0.565 . . . . 25.0 110.167 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.73 -43.64 92.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.595 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.63 -42.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.23 -43.63 95.88 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.819 0.343 . . . . 25.0 111.032 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.26 98.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.276 0.56 . . . . 25.0 110.422 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.16 -38.41 85.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.704 -0.622 . . . . 25.0 110.794 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -74.14 -29.85 62.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.15 -40.86 98.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 172.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.39 -39.48 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.85 68.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 22.3 t -81.75 -21.93 37.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.058 0.456 . . . . 25.0 111.085 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.86 144.08 43.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.462 0.648 . . . . 25.0 111.547 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -77.82 60.66 2.31 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.887 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.03 114.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.3 p -77.43 159.21 29.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -63.67 -24.54 67.82 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 111.005 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.55 -33.12 66.59 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 122.049 -0.407 . . . . 25.0 110.314 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.93 -39.35 79.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.54 80.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.03 -36.91 85.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.7 0.286 . . . . 25.0 111.751 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.19 -26.16 55.89 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.075 0.464 . . . . 25.0 111.532 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -119.01 47.78 1.6 Allowed 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.7 m -67.63 -19.69 65.24 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.502 0.668 . . . . 25.0 110.685 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -58.78 -38.47 78.61 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.069 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -66.85 -33.03 74.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.401 0.62 . . . . 25.0 110.083 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 21.0 mm -72.48 -35.04 50.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -65.63 -39.81 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.8 m -63.33 -43.56 97.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.807 -0.558 . . . . 25.0 111.082 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.63 -38.06 77.26 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.525 0.679 . . . . 25.0 110.448 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.54 -33.67 75.39 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.452 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.95 -47.28 69.07 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 111.279 0.103 . . . . 25.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.431 ' H ' HG13 ' B' ' 403' ' ' ILE . 1.0 OUTLIER -58.44 -17.2 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -174.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -9.03 7.34 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.184 -0.947 . . . . 25.0 113.242 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -84.63 -13.51 51.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' 1397 ' ' PHE . 3.7 t80 -52.56 109.82 0.44 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 173.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -106.68 -31.12 8.59 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -170.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 31.3 m -71.74 -12.35 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.4 t -148.12 120.06 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -80.65 -17.17 52.07 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.25 -37.0 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.323 -0.861 . . . . 25.0 110.964 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.4 mt -68.84 -43.15 82.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.459 -0.776 . . . . 25.0 109.583 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.3 -28.14 66.01 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 118.912 -1.115 . . . . 25.0 110.583 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -44.98 67.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.552 0.615 . . . . 25.0 110.293 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -65.01 -40.52 95.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.816 0.817 . . . . 25.0 109.188 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -68.27 -41.59 80.83 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.896 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 96.7 m -68.22 -37.64 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.3 ttp -57.31 -54.11 50.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.956 0.408 . . . . 25.0 110.581 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.44 -44.49 91.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 25.0 110.891 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.93 -44.22 91.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.692 0.282 . . . . 25.0 111.538 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -66.79 -36.38 82.26 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 122.367 -0.208 . . . . 25.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -67.59 -46.25 73.15 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.018 0.199 . . . . 25.0 111.161 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.28 -30.29 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -71.85 -20.12 61.86 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.572 -0.705 . . . . 25.0 110.372 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -98.22 75.45 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.528 0.68 . . . . 25.0 109.626 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 83.2 mtp . . . . . 0 C--O 1.211 -0.959 0 CA-C-O 124.421 2.058 . . . . 25.0 114.48 -179.142 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 115.735 1.754 . . . . 25.0 115.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 116.1 142.96 7.68 Favored Glycine 0 C--N 1.342 0.914 0 C-N-CA 125.25 1.405 . . . . 25.0 110.235 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -157.74 159.45 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 25.2 m 50.72 63.92 2.03 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.59 -32.34 68.88 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 122.059 0.933 . . . . 25.0 110.551 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 32.0 p -131.75 135.04 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 103.974 -2.602 . . . . 25.0 103.974 172.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.51 148.09 25.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.968 0.889 . . . . 25.0 111.113 -174.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 87.9 p -139.71 -179.5 5.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.29 97.05 2.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.04 1.11 6.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.181 0.515 . . . . 25.0 110.3 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -153.56 160.67 29.39 Favored Glycine 0 CA--C 1.507 -0.456 0 N-CA-C 107.223 -2.351 . . . . 25.0 107.223 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.34 14.79 30.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.624 0.712 . . . . 25.0 112.855 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.4 157.27 37.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -130.35 120.81 24.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.89 170.11 20.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 105.532 -2.025 . . . . 25.0 105.532 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 124.775 2.226 . . . . 25.0 113.859 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.053 -1.03 . . . . 25.0 110.337 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 59.8 p -69.5 -27.95 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.966 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -48.19 68.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.67 -41.74 92.12 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.304 0.378 . . . . 25.0 110.692 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.96 -37.21 86.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.227 -0.189 . . . . 25.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.55 -43.07 95.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.658 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.76 -42.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.82 -44.07 86.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.015 -0.428 . . . . 25.0 110.213 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.27 90.45 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.702 0.287 . . . . 25.0 110.964 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.94 -39.12 93.02 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.121 -0.326 . . . . 25.0 110.121 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.98 -42.95 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.211 -0.662 . . . . 25.0 109.211 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.96 -23.69 63.8 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -98.09 -28.13 13.89 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 72.7 p -70.93 -30.2 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.7 mt -103.47 45.68 0.95 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.954 0.407 . . . . 25.0 111.002 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -98.87 162.42 13.1 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.979 0.419 . . . . 25.0 111.992 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.99 -16.82 17.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.88 -39.96 87.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.452 0.644 . . . . 25.0 111.969 -171.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -177.54 95.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.84 118.62 16.0 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -171.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -100.18 93.23 5.6 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 122.39 1.091 . . . . 25.0 111.462 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.7 -43.11 86.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.312 -1.313 . . . . 25.0 111.045 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -65.68 -46.19 80.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.747 -0.596 . . . . 25.0 111.616 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -59.76 -33.53 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.923 0.342 . . . . 25.0 111.923 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.02 -43.27 88.1 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.453 -0.499 . . . . 25.0 110.492 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.26 -43.03 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.99 -42.26 93.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.278 0.561 . . . . 25.0 110.783 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.89 92.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.84 -36.27 77.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.188 -0.32 . . . . 25.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.94 -39.55 69.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.922 0.391 . . . . 25.0 110.896 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.51 -42.62 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.229 0.538 . . . . 25.0 110.693 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.33 -31.87 66.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.956 -0.465 . . . . 25.0 111.077 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.06 68.15 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 60.6 p -79.36 -15.91 57.13 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.88 0.371 . . . . 25.0 111.306 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.73 131.19 34.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.04 0.924 . . . . 25.0 111.739 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -101.45 134.9 43.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.83 159.11 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 25.0 110.683 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 73.0 p -82.24 162.83 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 58.4 mtt -64.14 -26.75 68.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.25 -36.31 82.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.941 -0.474 . . . . 25.0 111.293 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 25.0 110.41 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.25 -42.49 68.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.188 -0.32 . . . . 25.0 111.117 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -67.21 -35.97 80.71 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.959 -0.463 . . . . 25.0 111.722 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -119.33 50.31 1.25 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.704 0.764 . . . . 25.0 111.145 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 28.3 m -69.51 -19.3 63.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -58.4 -32.03 68.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.594 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.3 ttp -73.16 -33.22 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.89 -39.08 79.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.645 -1.243 . . . . 25.0 107.645 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 40.9 m -62.96 -41.21 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.291 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -44.38 91.56 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.317 -0.239 . . . . 25.0 111.128 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.91 -38.66 82.96 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.367 0.603 . . . . 25.0 109.895 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -64.86 -35.05 79.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.927 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -65.96 -32.02 73.26 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.605 -0.684 . . . . 25.0 111.804 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.48 -13.58 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -55.27 -13.38 1.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.72 51.06 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.973 -0.454 . . . . 25.0 111.591 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -75.82 71.4 2.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.67 -0.34 42.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.271 0.558 . . . . 25.0 111.148 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.65 -31.43 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.4 t -144.14 120.02 10.61 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.828 0.823 . . . . 25.0 110.43 172.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.48 -25.51 66.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.402 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.53 -45.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 122.044 -0.41 . . . . 25.0 110.177 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.76 -42.78 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.4 ttp -59.18 -42.12 90.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.04 -47.58 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.846 0.355 . . . . 25.0 111.386 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.38 -45.27 91.88 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.543 -0.463 . . . . 25.0 110.683 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.2 p -64.96 -36.69 85.19 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.46 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 80.4 m -67.4 -41.33 85.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.726 0.298 . . . . 25.0 110.377 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -61.69 -47.82 83.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.192 -0.299 . . . . 25.0 110.192 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.72 -39.36 93.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.61 0.243 . . . . 25.0 111.194 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.9 -46.7 87.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.52 -35.34 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.93 -0.481 . . . . 25.0 112.062 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.72 -40.16 91.91 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -108.42 4.61 24.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 6.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -80.73 90.74 5.83 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 64.2 mtm . . . . . 0 CA--C 1.549 0.942 0 CA-C-O 124.321 2.01 . . . . 25.0 113.371 -176.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 123.861 1.791 . . . . 25.0 114.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 76.05 28.42 60.5 Favored Glycine 0 C--N 1.349 1.257 0 O-C-N 120.329 -1.482 . . . . 25.0 112.934 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.03 117.51 4.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.338 0.589 . . . . 25.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 28.3 t -152.79 -22.27 0.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.615 -0.721 . . . . 25.0 111.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.21 139.3 57.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 26.5 m -125.24 90.16 3.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.791 0.329 . . . . 25.0 110.995 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -128.04 148.64 50.56 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.491 0.662 . . . . 25.0 110.803 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 34.3 t -166.53 154.73 10.24 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.482 -2.044 . . . . 25.0 105.482 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' B' ' 406' ' ' PHE . 0.3 OUTLIER -79.0 77.34 5.47 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 173.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 86.4 t80 -84.74 -50.78 7.31 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.862 -0.524 . . . . 25.0 112.029 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -154.35 33.36 0.71 Allowed Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.886 -0.673 . . . . 25.0 114.21 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.1 OUTLIER 62.1 10.24 3.59 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.827 1.417 . . . . 25.0 114.827 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 69.25 163.67 0.24 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.891 1.276 . . . . 25.0 113.514 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -148.94 164.92 33.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -81.73 61.47 5.12 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.542 0.942 . . . . 25.0 113.542 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 26.5 t70 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 123.932 1.825 . . . . 25.0 111.691 175.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 115.159 1.541 . . . . 25.0 115.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.91 -41.53 98.03 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.622 -1.299 . . . . 25.0 109.551 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.0 m -60.85 -28.08 68.58 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -45.38 58.28 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.345 -0.983 . . . . 25.0 108.345 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.21 -41.92 97.68 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.749 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.65 -42.65 88.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -45.13 95.35 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.42 -42.54 93.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -64.83 -34.63 78.82 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.618 -0.676 . . . . 25.0 111.368 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.57 96.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.76 -37.77 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.542 . . . . 25.0 111.356 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.53 -45.24 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . 0.512 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 23.5 mtpt -66.6 -44.28 82.57 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.298 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.99 -37.29 85.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 31.3 m -71.65 -24.62 61.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 13.3 mt -115.21 18.99 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 146.63 24.45 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.079 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -26.22 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 116.183 -0.462 . . . . 25.0 111.618 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.25 -40.04 94.84 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -162.13 59.47 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.116 0.484 . . . . 25.0 110.747 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 134.77 56.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -143.57 114.49 7.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 122.034 0.921 . . . . 25.0 110.262 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.12 -43.46 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.853 -1.067 . . . . 25.0 111.532 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.96 -36.88 69.99 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.167 -0.333 . . . . 25.0 111.089 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.2 -36.46 75.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.071 0.462 . . . . 25.0 110.207 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.3 t -68.55 -41.63 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.718 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.45 -44.83 99.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.11 -40.76 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 25.0 110.705 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.7 99.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.216 0.532 . . . . 25.0 110.804 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.94 -37.83 79.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.083 -0.386 . . . . 25.0 110.61 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.6 -30.75 66.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.11 -0.369 . . . . 25.0 111.665 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.21 -35.51 81.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.731 0.777 . . . . 25.0 110.043 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -28.49 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.792 -0.568 . . . . 25.0 109.914 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -80.6 -28.72 37.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 94.4 p -81.58 -24.47 36.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.252 0.549 . . . . 25.0 109.668 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.05 137.84 45.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 174.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -79.42 65.84 4.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.829 0.823 . . . . 25.0 110.124 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.09 114.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.6 p -76.57 165.11 25.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.794 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -61.5 -28.66 69.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.568 -0.287 . . . . 25.0 111.086 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -70.5 -39.65 74.02 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.031 -0.418 . . . . 25.0 109.905 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.11 -33.83 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.992 -0.683 . . . . 25.0 110.003 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.08 93.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.2 -41.53 94.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.545 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.08 -36.0 81.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.106 0.479 . . . . 25.0 110.086 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -109.56 53.88 0.68 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.508 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 53.2 m -65.73 -21.39 66.52 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.297 1.046 . . . . 25.0 108.24 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.82 -32.96 72.31 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.971 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -30.57 69.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.597 -0.689 . . . . 25.0 109.835 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.2 mm -67.68 -35.74 73.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.2 m -63.68 -43.13 97.55 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.346 -0.388 . . . . 25.0 110.057 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 58.3 m -60.38 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.225 -0.287 . . . . 25.0 110.225 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.69 -38.67 78.76 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.193 0.521 . . . . 25.0 111.296 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -62.72 -37.13 85.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.046 -0.525 . . . . 25.0 110.859 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.2 -38.09 78.44 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.02 -20.95 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -64.99 -11.66 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.346 -0.846 . . . . 25.0 112.893 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -88.83 -1.22 57.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.401 ' HA ' ' HB3' ' A' 1397 ' ' PHE . 34.9 t80 -71.0 83.71 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.968 0.889 . . . . 25.0 110.945 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.13 -21.01 66.73 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.059 -0.973 . . . . 25.0 112.457 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.94 -26.57 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.5 t -138.48 120.08 15.09 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -72.32 -26.39 61.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.358 -0.837 . . . . 25.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.08 -40.35 78.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -42.19 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.639 -0.663 . . . . 25.0 110.376 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.0 ptp -69.43 -28.53 66.21 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.326 -0.949 . . . . 25.0 111.753 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -43.37 57.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.668 0.667 . . . . 25.0 110.243 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -62.28 -44.22 97.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.552 0.691 . . . . 25.0 110.873 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.9 p -69.74 -35.49 75.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.827 -0.546 . . . . 25.0 112.022 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.7 t -74.02 -27.2 60.83 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.545 -0.722 . . . . 25.0 110.678 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -63.68 -48.05 78.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.29 -42.51 99.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.959 0.409 . . . . 25.0 110.984 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -58.09 -42.57 85.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.941 -0.392 . . . . 25.0 109.941 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.406 -0.184 . . . . 25.0 111.446 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.18 -42.49 86.21 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.724 0.41 . . . . 25.0 110.477 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -83.96 -33.27 24.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 115.121 1.526 . . . . 25.0 115.121 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -15.82 59.96 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.501 0.592 . . . . 25.0 111.266 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.62 73.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.661 0.743 . . . . 25.0 109.514 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 C--O 1.209 -1.063 0 CA-C-O 124.025 1.869 . . . . 25.0 113.891 -178.318 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 125.113 2.387 . . . . 25.0 113.289 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 83.36 -174.5 52.19 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 114.207 -1.36 . . . . 25.0 113.015 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -153.87 -48.5 0.09 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.137 0.494 . . . . 25.0 110.788 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 65.2 m -139.87 43.38 1.95 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.528 0.68 . . . . 25.0 109.995 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -85.22 73.65 10.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.081 0.943 . . . . 25.0 112.485 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 5.2 p -75.36 114.47 13.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 64.04 123.17 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.886 1.274 . . . . 25.0 114.022 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 74.9 m -129.89 150.96 50.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.6 t80 -85.16 85.91 7.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -172.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -130.61 123.27 29.11 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 71.0 -2.34 18.64 Favored Glycine 0 C--O 1.215 -1.031 0 N-CA-C 118.022 1.969 . . . . 25.0 118.022 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.1 OUTLIER 61.1 35.1 18.82 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.21 0.505 . . . . 25.0 111.554 -175.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 88.19 -179.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.716 2.006 . . . . 25.0 109.037 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 59.72 34.17 22.01 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.304 1.049 . . . . 25.0 111.182 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -99.53 118.24 35.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.552 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.503 2.22 0 CA-C-O 124.14 1.924 . . . . 25.0 114.812 178.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.38 -32.83 74.36 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.699 -1.251 . . . . 25.0 109.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 m -62.53 -31.48 72.26 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.992 -0.443 . . . . 25.0 111.821 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.34 -39.65 78.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.45 -39.69 85.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.2 -37.49 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.293 -0.255 . . . . 25.0 110.644 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -62.32 -45.34 93.66 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.859 -0.423 . . . . 25.0 109.859 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.89 -41.56 92.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.07 -39.04 91.06 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.171 -0.331 . . . . 25.0 111.24 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.53 91.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.23 -27.83 69.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.4 mm -62.37 -47.85 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 45.9 mtpt -65.25 -42.12 93.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 25.0 110.224 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.04 -21.78 66.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.8 p -93.03 -19.01 21.99 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.603 1.705 . . . . 25.0 115.603 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.39 30.23 7.21 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.377 0.99 . . . . 25.0 112.771 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -72.41 168.93 17.41 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.1 pt -63.81 -31.92 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.114 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.15 -40.14 96.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -169.28 146.93 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.45 118.56 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.212 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -113.8 87.62 2.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.544 1.164 . . . . 25.0 109.565 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.67 -45.38 90.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.42 -1.264 . . . . 25.0 111.705 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.85 -38.31 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.598 -0.689 . . . . 25.0 111.69 -174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -60.57 -37.91 82.84 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.723 -0.391 . . . . 25.0 110.419 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.52 -39.57 91.97 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.781 -0.368 . . . . 25.0 111.448 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.66 -46.61 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.77 -40.35 97.04 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.997 0.427 . . . . 25.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.03 97.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.772 -0.58 . . . . 25.0 110.848 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.13 -35.12 76.04 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.845 -0.535 . . . . 25.0 109.959 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.35 -40.83 73.82 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.007 0.432 . . . . 25.0 110.528 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.23 -37.24 80.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.999 -0.438 . . . . 25.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.631 -0.258 . . . . 25.0 111.609 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 55.2 m -79.89 -11.39 59.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.46 127.66 42.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.069 0.938 . . . . 25.0 111.32 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.61 127.5 32.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.87 157.35 20.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 69.0 p -84.16 161.62 20.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -26.08 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.132 0.492 . . . . 25.0 109.945 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -70.93 -34.58 71.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.848 -0.532 . . . . 25.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.2 -36.26 81.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.03 93.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.474 -0.49 . . . . 25.0 109.963 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.47 -39.87 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 25.0 110.915 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -67.05 -23.57 65.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.491 -0.756 . . . . 25.0 110.774 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -114.37 45.03 1.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 122.747 0.419 . . . . 25.0 110.298 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 96.8 m -66.52 -19.84 65.88 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 122.285 1.041 . . . . 25.0 108.936 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.47 -42.26 87.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.365 -0.834 . . . . 25.0 110.839 173.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -69.56 -33.85 73.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.888 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.85 -35.68 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 35.8 m -66.87 -38.74 86.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.89 -43.55 95.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.155 -0.34 . . . . 25.0 110.653 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.04 -38.38 79.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.207 0.527 . . . . 25.0 110.977 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.62 -39.11 90.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.018 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -65.49 -44.14 88.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.401 HG13 ' H ' ' B' ' 403' ' ' ILE . 0.4 OUTLIER -62.92 -13.66 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -172.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -67.14 -12.11 59.1 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.092 -1.005 . . . . 25.0 112.56 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -85.47 -11.97 52.98 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.856 -0.527 . . . . 25.0 111.254 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.53 74.86 1.97 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.586 0.708 . . . . 25.0 111.828 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -73.37 -2.06 20.72 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.0 t -66.11 -33.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 25.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.9 t -138.03 117.79 13.17 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.457 -0.777 . . . . 25.0 109.415 173.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.1 -24.87 64.18 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.925 -0.58 . . . . 25.0 110.126 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.95 -41.93 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 25.0 110.029 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.42 -47.44 72.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.762 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.13 -29.86 68.86 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.512 -0.742 . . . . 25.0 111.063 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.71 -45.63 78.13 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.961 -0.462 . . . . 25.0 110.535 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.35 -37.06 86.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 32.4 m -64.34 -40.6 96.21 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 52.6 m -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.042 -0.355 . . . . 25.0 110.042 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 60.4 ttp -59.67 -50.6 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.406 -0.184 . . . . 25.0 110.96 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.31 -41.03 97.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.038 0.447 . . . . 25.0 109.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.516 -0.311 . . . . 25.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -63.54 -41.39 98.45 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.806 -0.179 . . . . 25.0 110.634 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.92 -19.06 41.54 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -63.58 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -85.84 81.97 8.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.699 0.762 . . . . 25.0 110.994 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 125.14 2.4 . . . . 25.0 111.479 177.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 123.784 1.755 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -155.63 25.14 0.58 Allowed Glycine 0 C--N 1.345 1.081 0 O-C-N 120.535 -1.353 . . . . 25.0 112.636 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.78 142.79 44.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 70.6 m -163.18 -39.57 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 62.25 163.93 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.598 1.159 . . . . 25.0 113.783 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 24.8 m -159.36 106.65 1.74 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.684 -0.635 . . . . 25.0 112.389 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -107.13 144.31 34.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 23.7 p -150.58 144.08 25.06 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 10.5 t80 -109.64 124.33 51.0 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 104.717 -2.327 . . . . 25.0 104.717 168.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.88 72.87 8.46 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.153 0.501 . . . . 25.0 110.237 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 178.25 -165.44 34.81 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.4 -1.48 . . . . 25.0 109.4 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 21.2 m-30 56.94 77.08 0.28 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.865 0.866 . . . . 25.0 111.048 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 69.47 -11.21 0.51 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.833 1.253 . . . . 25.0 114.137 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.53 125.02 24.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 43.07 48.51 5.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 123.785 1.755 . . . . 25.0 114.857 -177.702 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -50.37 -50.64 50.85 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.024 0.929 . . . . 25.0 113.277 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.5 m -59.53 -29.1 67.65 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -73.14 -47.89 40.12 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.38 -0.971 . . . . 25.0 108.38 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.29 -40.56 94.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.217 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.28 -42.56 99.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.011 -0.276 . . . . 25.0 111.626 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.27 -45.1 93.05 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.892 -0.323 . . . . 25.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.68 -45.25 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.98 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.427 . . . . 25.0 110.926 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -67.51 -27.23 66.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.406 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.57 -46.01 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.209 0.458 . . . . 25.0 110.873 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -68.84 -38.27 79.7 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.157 -0.617 . . . . 25.0 111.28 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -70.92 -37.16 72.91 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.308 -0.557 . . . . 25.0 111.435 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.6 p -83.21 1.65 39.67 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 123.011 0.524 . . . . 25.0 112.378 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.84 30.94 2.77 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.323 0.582 . . . . 25.0 109.609 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -65.74 148.78 51.2 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 44.1 pt -86.46 -2.74 8.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.076 0.465 . . . . 25.0 110.711 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.35 -39.94 18.5 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.493 -0.776 . . . . 25.0 111.131 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 47.4 t30 178.32 147.87 0.17 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 101.558 -3.497 . . . . 25.0 101.558 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.95 149.12 33.6 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -94.42 99.68 11.83 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.402 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.31 -47.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.024 0.44 . . . . 25.0 111.439 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -64.77 -39.02 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.74 -36.09 81.91 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.964 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 17.3 t -63.68 -43.16 97.51 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.366 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.8 mt -63.82 -46.22 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -64.2 -42.28 96.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.754 0.311 . . . . 25.0 111.641 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.16 98.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.48 0.657 . . . . 25.0 110.315 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.45 -34.6 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.326 -0.397 . . . . 25.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -73.1 -33.53 65.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.052 0.453 . . . . 25.0 111.48 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.3 -40.92 97.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.606 0.717 . . . . 25.0 109.129 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -27.03 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.702 -0.624 . . . . 25.0 111.017 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.27 -34.71 63.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.425 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 50.9 m -79.7 -24.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 25.0 111.562 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.23 131.09 41.56 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.528 0.68 . . . . 25.0 110.269 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.85 70.97 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.614 0.721 . . . . 25.0 109.777 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.9 t -81.3 119.82 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 25.0 109.968 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 11.4 p -73.08 143.38 47.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -65.0 -29.11 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.47 -34.58 72.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 25.0 110.219 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -69.14 -41.18 77.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.62 68.98 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.682 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.47 -36.46 80.5 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 111.757 0.28 . . . . 25.0 111.757 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -75.95 -7.01 53.58 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.919 -0.488 . . . . 25.0 112.076 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -119.04 55.58 0.93 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.1 m -65.07 -24.67 67.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.65 -40.81 80.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.544 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.8 ttp -68.41 -36.55 79.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 109.997 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.29 -39.51 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 63.0 m -66.36 -40.06 89.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.836 -0.62 . . . . 25.0 109.712 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 98.8 m -61.87 -47.22 85.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.927 -0.483 . . . . 25.0 110.816 175.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.03 -37.58 80.19 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.457 0.646 . . . . 25.0 110.282 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.88 -37.07 86.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.016 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -72.05 -43.02 65.59 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.14 -29.83 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.351 0.66 . . . . 25.0 112.057 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -57.92 -8.13 0.92 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.724 1.75 . . . . 25.0 115.724 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -80.72 -13.98 58.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.833 -0.542 . . . . 25.0 111.507 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.69 126.74 25.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -106.95 -31.32 8.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.94 -14.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 116.444 2.016 . . . . 25.0 116.444 -164.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 137.56 23.07 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.083 -1.011 . . . . 25.0 112.342 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -68.91 -40.44 79.09 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.21 -41.37 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 114.012 1.116 . . . . 25.0 114.012 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.23 -45.36 75.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 121.767 -0.583 . . . . 25.0 110.958 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.6 ptp -69.43 -30.8 68.81 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 119.933 -0.707 . . . . 25.0 110.219 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.57 -51.04 55.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.005 -0.434 . . . . 25.0 111.408 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.89 -42.17 99.68 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.687 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 48.2 p -66.54 -35.99 81.58 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.149 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 97.8 m -66.47 -41.58 88.8 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 122.013 -0.429 . . . . 25.0 110.612 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 37.8 ttp -60.5 -49.0 79.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.02 -40.44 94.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.641 0.258 . . . . 25.0 111.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.34 -49.37 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.92 -31.56 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.957 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.03 -40.81 77.41 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.912 0.387 . . . . 25.0 110.315 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -90.42 -27.64 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -69.07 -33.05 72.93 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 122.089 -0.382 . . . . 25.0 110.699 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -82.44 72.39 9.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.475 0.916 . . . . 25.0 113.475 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.343 2.021 . . . . 25.0 113.269 176.827 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 N--CA 1.507 2.385 0 N-CA-C 116.0 1.852 . . . . 25.0 116.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 71.36 24.77 76.54 Favored Glycine 0 C--N 1.34 0.802 0 O-C-N 120.646 -1.284 . . . . 25.0 112.407 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.89 -10.65 58.23 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 66.7 m -116.39 131.54 56.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 175.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -67.37 -28.9 68.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.675 0.75 . . . . 25.0 110.229 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 1.8 t -158.95 150.78 20.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.336 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.15 -3.42 31.77 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.584 -0.28 . . . . 25.0 111.103 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 72.1 p -156.13 171.55 19.97 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.879 1.807 . . . . 25.0 115.879 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 33.9 t80 -79.23 92.99 5.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.39 -1.277 . . . . 25.0 107.633 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -69.96 -28.86 65.9 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.458 -0.497 . . . . 25.0 109.968 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 156.88 175.63 28.04 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.448 -0.882 . . . . 25.0 114.485 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' B' ' 360' ' ' LYS . 45.2 m-85 -83.96 112.53 20.25 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 173.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -80.72 39.47 0.48 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.358 0.663 . . . . 25.0 110.27 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.82 -17.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.04 2.237 . . . . 25.0 117.04 -175.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -53.47 146.07 13.43 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 114.396 1.258 . . . . 25.0 114.396 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 N--CA 1.5 2.037 0 C-N-CA 125.77 1.628 . . . . 25.0 112.059 179.065 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.512 2.63 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -64.93 -39.96 94.3 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 121.098 -1.001 . . . . 25.0 110.099 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.1 p -65.5 -32.58 74.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.844 0.354 . . . . 25.0 111.344 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.53 -44.05 68.34 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.63 -41.83 99.25 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.568 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.86 -42.0 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.646 0.26 . . . . 25.0 111.111 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 25.0 110.785 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.14 -41.99 87.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -61.81 -37.37 84.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.119 0.485 . . . . 25.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.62 91.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.94 -28.35 68.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.644 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.94 -46.59 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 121.715 -0.616 . . . . 25.0 109.414 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' 1400 ' ' PHE . 49.4 mtpt -68.82 -39.24 80.12 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.374 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.68 -28.72 67.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 62.6 p -84.06 -15.43 47.5 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 20.1 mt -128.0 48.08 2.32 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 118.058 0.39 . . . . 25.0 111.27 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.75 162.67 29.2 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.764 0.711 . . . . 25.0 110.586 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.0 -19.12 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -107.96 -40.24 5.3 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.556 1.317 . . . . 25.0 114.556 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -151.51 116.63 5.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.949 -1.5 . . . . 25.0 106.949 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.35 153.29 51.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -171.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -124.13 107.7 11.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.307 1.051 . . . . 25.0 111.198 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.49 -40.48 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 114.265 -1.334 . . . . 25.0 111.406 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -68.02 -44.48 76.41 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 -175.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -61.02 -35.55 77.15 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.269 -0.423 . . . . 25.0 111.526 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.9 t -62.92 -40.55 97.95 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.015 -0.674 . . . . 25.0 110.315 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.92 -45.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.38 -44.21 92.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.81 99.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.276 0.56 . . . . 25.0 110.345 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.2 mt -65.83 -37.49 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.5 -42.16 68.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.098 -1.041 . . . . 25.0 110.047 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.32 -34.2 74.3 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.8 -29.25 69.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.096 -0.377 . . . . 25.0 110.464 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 28.3 t -78.98 -21.21 47.41 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.93 0.395 . . . . 25.0 111.814 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 85.7 mt -71.05 121.1 17.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.778 0.799 . . . . 25.0 110.334 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -80.77 61.55 4.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.846 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.06 147.9 8.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 70.3 p -75.78 162.88 27.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.942 0.401 . . . . 25.0 110.161 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 76.3 mtm -61.53 -33.26 73.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.356 . . . . 25.0 110.812 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -71.71 -30.45 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.318 -0.239 . . . . 25.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.51 -42.5 71.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.58 82.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.917 0.389 . . . . 25.0 110.42 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -63.27 -46.24 87.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.427 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -71.35 -35.8 71.27 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -88.12 54.02 2.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.597 0.713 . . . . 25.0 109.177 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -20.35 65.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.081 0.943 . . . . 25.0 111.491 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -60.58 -35.95 77.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.046 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.8 ttm -66.2 -37.53 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.32 -40.25 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.3 m -65.48 -42.25 92.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.795 0.331 . . . . 25.0 110.838 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.0 m -60.95 -48.13 83.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.553 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.93 -37.26 73.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.286 0.565 . . . . 25.0 111.055 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.65 -38.32 89.81 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.263 -0.426 . . . . 25.0 111.025 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.47 -38.56 77.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.904 -0.498 . . . . 25.0 111.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.92 -20.73 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -59.87 -11.06 4.68 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.96 -11.37 59.58 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 119.386 -0.34 . . . . 25.0 111.872 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.93 72.7 0.41 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.05 -14.19 61.36 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.139 0.976 . . . . 25.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.71 -33.91 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.418 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.3 t -144.31 119.94 10.44 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -66.1 -27.63 68.21 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -172.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.98 -35.03 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.851 -0.53 . . . . 25.0 111.491 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.96 -45.14 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.841 -0.537 . . . . 25.0 110.479 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.4 ptm -67.72 -30.06 69.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.354 -0.841 . . . . 25.0 110.262 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -70.31 -47.69 59.99 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.578 -0.701 . . . . 25.0 111.828 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -62.1 -40.88 97.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.928 -0.483 . . . . 25.0 110.519 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.6 p -66.75 -33.86 76.56 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.272 -0.571 . . . . 25.0 110.961 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 46.6 m -66.26 -41.99 89.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.835 -0.54 . . . . 25.0 109.875 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.4 ttp -60.16 -46.95 87.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.495 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.95 -38.85 89.68 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.766 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.79 -47.77 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.53 -34.82 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.868 -0.52 . . . . 25.0 112.401 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -57.32 -46.71 82.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.619 0.368 . . . . 25.0 110.116 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -85.52 -18.6 33.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -68.28 -20.11 64.75 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 175.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -83.48 40.46 0.72 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.219 1.009 . . . . 25.0 110.962 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 125.328 2.49 . . . . 25.0 112.535 -179.19 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 123.112 1.434 . . . . 25.0 114.846 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 117.29 144.28 7.75 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.133 -0.939 . . . . 25.0 110.926 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.03 152.15 44.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.63 -0.508 . . . . 25.0 109.63 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 19.5 m 55.78 21.2 4.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -136.07 158.71 43.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 52.1 p -143.57 139.51 29.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -136.62 107.02 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 25.0 109.645 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 97.3 p -154.55 178.95 9.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.64 -1.245 . . . . 25.0 107.64 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.93 100.92 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.45 4.95 2.92 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.063 -0.517 . . . . 25.0 112.289 -174.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -158.79 174.32 35.81 Favored Glycine 0 CA--C 1.51 -0.27 0 N-CA-C 105.821 -2.912 . . . . 25.0 105.821 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.61 29.87 1.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.798 1.299 . . . . 25.0 113.628 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.69 159.22 34.75 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -123.33 148.03 46.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 25.0 110.409 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.34 139.79 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 104.984 -2.228 . . . . 25.0 104.984 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 124.68 2.181 . . . . 25.0 111.93 -177.205 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 123.327 1.536 . . . . 25.0 114.827 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -62.07 -38.96 90.79 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 120.59 -1.319 . . . . 25.0 111.872 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -30.42 71.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.325 0.584 . . . . 25.0 111.657 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -41.25 73.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.27 -32.85 72.31 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.46 -42.09 98.23 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.295 -0.261 . . . . 25.0 110.295 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -62.4 -42.94 99.81 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.673 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.02 -44.82 88.09 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -61.0 -40.09 92.17 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.06 -0.4 . . . . 25.0 110.753 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.95 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.88 -40.57 96.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.35 -41.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 121.656 -0.652 . . . . 25.0 110.057 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.18 -25.36 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.268 -0.27 . . . . 25.0 111.696 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.37 -36.74 12.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 69.4 p -67.08 -21.62 65.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.076 1.139 . . . . 25.0 114.076 -172.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 76.1 mt -108.11 29.71 7.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -90.03 154.56 19.72 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.738 0.304 . . . . 25.0 111.475 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -42.53 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 116.461 2.023 . . . . 25.0 116.461 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.58 -39.98 92.24 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -168.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -153.97 68.77 0.77 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.94 119.41 12.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.077 -174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -106.65 93.84 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.147 0.975 . . . . 25.0 110.96 -176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.78 -45.64 79.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.443 -1.253 . . . . 25.0 111.593 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.7 -43.66 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.06 0.457 . . . . 25.0 111.497 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -60.82 -36.81 80.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.04 0.385 . . . . 25.0 112.04 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -66.06 -41.05 91.3 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.099 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.28 -44.96 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.84 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.865 0.364 . . . . 25.0 110.972 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.0 97.91 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.208 0.527 . . . . 25.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.2 mt -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.724 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.23 -35.92 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.093 -0.38 . . . . 25.0 110.806 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.42 -38.61 81.08 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.632 -0.667 . . . . 25.0 109.442 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -34.67 77.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.889 178.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.97 -28.13 60.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.3 t -79.85 -32.54 40.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 53.4 mt -69.51 137.11 52.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.226 0.536 . . . . 25.0 111.259 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.16 134.25 42.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.18 125.24 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.277 -2.12 . . . . 25.0 105.277 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.5 p -80.15 155.65 27.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -63.9 -26.08 68.44 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.121 0.486 . . . . 25.0 110.008 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -64.88 -38.43 90.94 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.906 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.14 -37.15 61.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.857 -0.527 . . . . 25.0 109.611 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.96 73.46 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 121.084 -0.246 . . . . 25.0 110.493 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.58 -39.78 95.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.618 0.247 . . . . 25.0 111.5 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -69.47 -26.43 64.57 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.099 0.476 . . . . 25.0 110.44 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.42 42.92 1.47 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 25.0 109.886 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 81.2 m -67.33 -28.86 68.33 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.16 -36.72 78.2 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.78 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.02 -27.99 66.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.076 0.465 . . . . 25.0 110.017 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 25.3 mm -68.7 -34.6 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.4 m -65.25 -40.62 94.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.4 m -60.96 -45.48 94.55 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 122.123 -0.361 . . . . 25.0 110.464 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.83 -37.88 80.45 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.168 0.508 . . . . 25.0 110.254 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -65.38 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.094 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.63 -36.57 83.22 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.777 0.288 . . . . 25.0 111.777 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.59 -16.32 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 121.257 0.551 . . . . 25.0 111.971 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.488 HH21 HG23 ' B' ' 417' ' ' THR . 99.4 mtt180 -61.94 -10.95 10.9 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.093 -1.004 . . . . 25.0 113.357 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.03 -13.63 58.64 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.109 -0.369 . . . . 25.0 110.699 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' B' ' 412' ' ' ILE . 32.0 t80 -76.51 76.61 3.22 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.041 0.924 . . . . 25.0 110.527 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -77.2 -6.74 54.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.928 -0.578 . . . . 25.0 112.505 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.67 -37.86 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.307 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.6 m -138.6 119.99 14.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -68.25 -26.08 65.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.39 -39.08 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 O-C-N 121.982 -0.449 . . . . 25.0 111.057 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' B' ' 406' ' ' PHE . 3.7 mt -65.73 -44.97 93.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.3 -178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.6 ptp -70.63 -28.19 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.299 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.36 -46.26 70.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.066 0.394 . . . . 25.0 109.985 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.91 -41.52 98.01 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.401 0.62 . . . . 25.0 109.63 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 47.8 m -64.6 -37.87 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.999 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . 0.488 HG23 HH21 ' B' ' 404' ' ' ARG . 53.4 m -71.61 -36.59 70.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.172 -0.33 . . . . 25.0 111.112 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 26.8 ttt -57.98 -49.15 77.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.24 -44.19 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.698 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -55.56 -45.16 77.34 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.245 -0.285 . . . . 25.0 110.609 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -72.05 -35.32 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -58.88 -45.36 90.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.69 -15.76 56.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -72.47 -21.49 61.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.206 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -85.73 79.73 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.023 0.916 . . . . 25.0 111.298 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 124.685 2.183 . . . . 25.0 112.207 178.408 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 N--CA 1.511 2.596 0 CA-C-O 122.578 1.18 . . . . 25.0 113.137 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 92.46 164.97 38.46 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 120.939 -1.1 . . . . 25.0 112.405 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -132.93 50.89 2.2 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.868 0.842 . . . . 25.0 109.402 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 4.7 p -97.78 94.21 6.8 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -99.59 22.45 10.83 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.448 1.118 . . . . 25.0 111.301 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 11.5 t -80.62 -11.9 59.58 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 121.086 -1.009 . . . . 25.0 111.324 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -110.76 113.42 25.99 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.275 -1.38 . . . . 25.0 107.275 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 84.0 p -142.76 20.43 1.99 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 114.215 1.191 . . . . 25.0 114.215 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.57 70.47 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -105.33 9.51 33.8 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.752 -1.113 . . . . 25.0 108.856 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -177.53 171.49 44.18 Favored Glycine 0 C--O 1.238 0.366 0 N-CA-C 109.447 -1.461 . . . . 25.0 109.447 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.44 -18.52 13.52 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 117.683 0.742 . . . . 25.0 110.414 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -79.01 146.2 33.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.956 -1.475 . . . . 25.0 110.717 -174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.7 -15.05 40.71 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -94.07 84.08 4.42 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.994 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 43.6 t0 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 123.732 1.73 . . . . 25.0 113.915 174.12 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.508 2.454 0 N-CA-C 115.08 1.511 . . . . 25.0 115.08 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -66.21 -39.03 89.33 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.312 -0.868 . . . . 25.0 110.3 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.3 p -59.65 -29.84 68.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.089 0.471 . . . . 25.0 111.372 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -69.03 -44.47 72.63 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.51 -33.07 68.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.324 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.52 -41.41 98.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.596 -0.52 . . . . 25.0 109.596 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -63.15 -43.63 97.8 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.522 -0.308 . . . . 25.0 110.262 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.66 -48.39 84.91 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.44 -36.76 76.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.15 0.5 . . . . 25.0 110.571 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.67 95.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.52 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.863 -0.523 . . . . 25.0 109.689 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.5 -49.93 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 121.776 -0.577 . . . . 25.0 109.725 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.16 -24.84 64.12 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -87.38 -30.56 20.67 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.2 p -75.92 -22.76 55.7 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -173.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 41.9 mt -111.79 42.5 1.72 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.896 0.379 . . . . 25.0 110.55 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -86.64 160.04 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.993 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 365' ' ' ILE . 0.8 OUTLIER -60.19 -46.09 95.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 114.952 -1.022 . . . . 25.0 112.637 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.77 -36.91 81.34 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -152.58 103.01 2.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 111.337 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.69 115.17 22.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.371 0.605 . . . . 25.0 110.369 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -113.38 91.93 3.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.563 1.173 . . . . 25.0 110.317 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 81.3 t -59.21 -38.79 76.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 114.121 -1.4 . . . . 25.0 111.052 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -64.48 -46.82 81.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.71 -38.91 86.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 120.966 -0.293 . . . . 25.0 110.941 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.6 -41.36 92.87 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.825 -0.75 . . . . 25.0 110.047 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.58 -45.68 88.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.7 -0.482 . . . . 25.0 109.7 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -60.08 -43.11 95.74 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.924 0.392 . . . . 25.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.77 -37.41 78.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.383 0.611 . . . . 25.0 110.618 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.67 -30.43 52.04 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.89 -0.506 . . . . 25.0 110.582 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.14 -42.76 59.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.099 -0.376 . . . . 25.0 111.76 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.09 -33.22 74.13 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.71 -40.67 92.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.71 74.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.561 0.344 . . . . 25.0 110.986 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 39.2 m -83.62 -19.37 35.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.96 148.74 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.716 0.769 . . . . 25.0 110.309 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -78.78 58.03 2.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.998 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.93 141.89 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 46.7 p -109.44 167.13 10.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 121.401 -0.812 . . . . 25.0 111.462 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -58.3 -36.02 72.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.558 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -73.91 -32.24 63.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.678 -0.638 . . . . 25.0 110.882 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -66.12 -39.28 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.52 87.92 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.282 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.76 -39.96 86.58 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.18 -0.325 . . . . 25.0 111.29 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -74.43 -16.18 60.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -119.66 51.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.067 0.461 . . . . 25.0 110.366 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m -65.21 -29.67 70.5 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.908 0.861 . . . . 25.0 109.987 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.9 -40.87 94.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.983 -1.008 . . . . 25.0 111.263 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.5 ttp -65.61 -30.65 71.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.214 0.53 . . . . 25.0 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.42 -34.94 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 11.1 m -65.24 -39.65 92.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.231 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 61.0 m -62.3 -42.68 99.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.4 0.28 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.03 -38.68 86.98 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.957 -0.464 . . . . 25.0 110.028 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.23 -36.31 83.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.517 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -60.55 -37.78 82.35 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.073 -0.392 . . . . 25.0 111.471 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.52 -13.98 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -63.47 -10.55 18.07 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.2 -1.562 . . . . 25.0 112.532 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.61 -10.81 50.37 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.979 0.362 . . . . 25.0 111.979 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' B' ' 412' ' ' ILE . 41.2 t80 -80.25 93.04 5.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 177.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -97.19 -8.03 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.35 -43.27 70.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.346 1.029 . . . . 25.0 111.383 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 27.0 t -143.53 120.19 11.14 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.92 -24.83 63.44 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.96 -35.78 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.931 -0.48 . . . . 25.0 112.226 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' B' ' 406' ' ' PHE . 19.0 mt -71.6 -43.35 71.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.421 -0.799 . . . . 25.0 110.736 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -67.19 -29.68 69.42 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.398 -0.521 . . . . 25.0 110.562 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -46.25 64.65 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.181 -0.324 . . . . 25.0 110.384 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.59 -37.86 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.508 0.67 . . . . 25.0 110.881 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 39.0 p -75.81 -32.75 59.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.7 t -74.35 -28.43 61.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.368 0.985 . . . . 25.0 109.676 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.1 ttp -61.75 -47.9 83.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.59 -38.62 74.05 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.508 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.09 -39.0 84.59 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.67 -0.644 . . . . 25.0 109.533 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.73 -37.66 82.51 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.756 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -60.5 -39.94 89.58 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 122.881 0.473 . . . . 25.0 111.063 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.29 9.67 42.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -62.82 -35.32 79.52 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -108.97 40.64 1.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 25.0 110.419 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 125.191 2.424 . . . . 25.0 111.314 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 116.062 1.875 . . . . 25.0 116.062 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -101.85 32.15 7.85 Favored Glycine 0 C--N 1.355 1.635 0 O-C-N 119.71 -1.869 . . . . 25.0 113.094 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -77.42 71.27 3.9 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.221 0.822 . . . . 25.0 113.221 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 11.6 m 69.97 15.02 7.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.489 1.515 . . . . 25.0 114.053 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.14 73.62 2.94 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.112 0.482 . . . . 25.0 111.784 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 24.8 m -147.24 118.97 8.03 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -140.04 97.47 3.25 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 53.4 p -162.56 163.84 27.11 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.991 -0.443 . . . . 25.0 111.934 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 1.9 t80 -95.16 104.98 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 164.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.94 137.12 58.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.111 -0.949 . . . . 25.0 110.597 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 85.96 10.36 75.57 Favored Glycine 0 C--O 1.246 0.864 0 N-CA-C 112.184 -0.367 . . . . 25.0 112.184 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.37 -34.46 3.28 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.464 0.306 . . . . 25.0 110.911 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -146.01 -53.22 0.26 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 107.259 -1.385 . . . . 25.0 107.259 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -82.76 142.49 31.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -98.34 144.97 27.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 44.9 p-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 123.277 1.513 . . . . 25.0 113.293 178.09 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 123.09 1.424 . . . . 25.0 114.446 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.88 -37.21 76.06 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.557 1.143 . . . . 25.0 110.695 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -37.71 86.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.934 0.397 . . . . 25.0 111.162 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -74.24 -37.16 63.86 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.95 -39.16 93.52 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.878 0.37 . . . . 25.0 111.286 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -66.42 -38.17 86.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -64.12 -42.84 96.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.69 -0.404 . . . . 25.0 110.685 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.65 -41.35 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.629 -0.878 . . . . 25.0 108.629 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -60.81 -41.6 96.0 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.018 0.372 . . . . 25.0 110.614 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.92 85.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 25.0 110.544 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.359 -0.382 . . . . 25.0 111.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.91 -42.87 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -65.67 -46.68 78.21 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.875 -0.516 . . . . 25.0 109.849 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -59.12 -34.54 72.16 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 18.0 m -82.11 -16.64 49.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.548 1.314 . . . . 25.0 114.548 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.55 22.94 10.49 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.153 0.978 . . . . 25.0 110.194 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 151.73 33.8 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 113.969 -1.469 . . . . 25.0 111.833 -176.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.4 pt -72.86 -7.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.794 0.684 . . . . 25.0 111.716 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -81.67 -23.57 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.695 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.0 t30 171.68 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.133 1.373 . . . . 25.0 108.114 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 127.15 34.17 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.475 -0.765 . . . . 25.0 112.56 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -121.7 87.36 2.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.709 1.243 . . . . 25.0 110.931 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.28 -41.93 85.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-N 114.099 -1.409 . . . . 25.0 110.945 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -65.54 -41.21 93.31 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.021 -0.424 . . . . 25.0 110.789 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -64.77 -37.18 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.496 0.188 . . . . 25.0 111.497 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.17 -40.02 96.32 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.257 -0.577 . . . . 25.0 109.93 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.51 -43.3 90.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.41 -37.8 88.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.725 0.239 . . . . 25.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.84 94.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.437 0.637 . . . . 25.0 110.86 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.95 -37.76 79.04 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.58 -34.73 76.32 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.724 -0.61 . . . . 25.0 111.04 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -61.05 -45.5 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -37.51 87.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.686 0.755 . . . . 25.0 110.252 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.7 -28.71 67.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.01 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 37.5 m -83.65 -15.09 50.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.42 138.61 31.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.555 0.693 . . . . 25.0 112.077 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -83.77 76.61 9.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 50.8 t -74.8 120.78 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.2 p -68.83 155.7 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.63 -30.38 69.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.787 -0.57 . . . . 25.0 111.161 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.87 -43.57 83.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.226 0.536 . . . . 25.0 109.767 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.78 -37.38 76.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.13 98.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.78 -40.0 94.53 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.683 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.2 -32.44 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.714 -0.616 . . . . 25.0 110.856 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -101.75 43.53 1.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m -65.83 -24.66 66.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.61 -42.58 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.369 -0.832 . . . . 25.0 111.416 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 62.5 ttp -68.11 -28.62 67.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.885 0.85 . . . . 25.0 110.172 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 26.8 mm -69.6 -31.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.7 m -69.98 -37.5 75.76 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.855 -0.528 . . . . 25.0 109.762 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.45 -42.88 99.78 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 122.152 -0.343 . . . . 25.0 110.35 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.38 -37.2 80.02 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.622 0.725 . . . . 25.0 110.451 177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -66.36 -34.93 79.07 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.873 -0.517 . . . . 25.0 110.904 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -68.06 -54.28 19.44 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.418 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 0.0 OUTLIER -56.49 -17.45 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -174.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -64.11 -8.22 11.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -96.97 -12.89 22.77 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.28 90.24 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.245 0.545 . . . . 25.0 110.118 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -76.24 -5.73 48.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.77 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 t -76.28 -31.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.043 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.2 m -139.14 119.15 13.4 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.091 0.948 . . . . 25.0 111.865 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -73.79 -25.34 60.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.53 -38.88 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.483 -0.761 . . . . 25.0 110.087 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.71 -43.7 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.301 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ptm -65.57 -35.92 82.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.604 -0.685 . . . . 25.0 111.35 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.65 -48.63 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.793 -0.567 . . . . 25.0 111.9 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.19 -33.21 74.01 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.134 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 42.5 p -70.78 -33.49 70.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.3 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -67.79 -42.95 80.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 64.6 ttp -58.79 -47.41 84.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.715 0.293 . . . . 25.0 110.61 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.87 -38.45 86.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.744 0.276 . . . . 25.0 111.744 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.61 -39.94 93.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -71.38 -35.27 71.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.475 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.67 -42.58 93.19 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -80.16 -1.72 41.58 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 114.676 1.362 . . . . 25.0 114.676 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.68 -29.14 62.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -110.1 69.66 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 25.0 109.193 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 74.8 mtp . . . . . 0 C--O 1.2 -1.537 0 CA-C-O 124.694 2.188 . . . . 25.0 112.738 -178.146 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 124.036 1.874 . . . . 25.0 114.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -172.08 167.49 40.48 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 106.536 -2.625 . . . . 25.0 106.536 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.85 42.75 20.69 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 124.391 0.701 . . . . 25.0 112.301 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 53.4 m -129.57 134.33 47.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -129.27 144.87 51.39 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 59.8 p -140.81 151.91 44.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -82.24 151.03 27.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 57.8 p -139.37 -109.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.142 -0.349 . . . . 25.0 110.544 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.46 75.2 10.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.794 -1.928 . . . . 25.0 105.794 173.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -88.85 -9.57 51.19 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -168.09 166.58 39.56 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.594 -1.402 . . . . 25.0 109.594 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -13.25 59.46 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 117.359 0.579 . . . . 25.0 111.966 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -136.7 151.37 49.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 104.171 -2.529 . . . . 25.0 104.171 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -124.21 34.19 5.1 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 60.33 18.81 8.39 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.399 -1.273 . . . . 25.0 114.075 -177.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 125.329 2.49 . . . . 25.0 111.586 172.571 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 N--CA 1.507 2.421 0 N-CA-C 116.205 1.928 . . . . 25.0 116.205 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -62.77 -38.03 89.01 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 120.629 -1.294 . . . . 25.0 110.042 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 62.8 p -68.09 -26.13 65.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.904 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.92 -37.35 67.25 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.498 -0.481 . . . . 25.0 109.945 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.97 -36.94 85.6 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 121.143 0.497 . . . . 25.0 110.844 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -66.29 -42.83 87.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 25.0 111.207 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.54 -38.89 79.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -57.24 -42.13 80.87 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.957 -0.464 . . . . 25.0 110.321 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.86 98.6 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.737 -0.602 . . . . 25.0 110.224 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.54 -31.33 72.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 111.576 0.213 . . . . 25.0 111.576 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.3 mm -58.68 -45.48 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -68.52 -35.59 77.67 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.254 -0.43 . . . . 25.0 111.855 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.99 -32.8 67.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.224 -0.443 . . . . 25.0 111.856 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 82.8 p -72.61 -23.85 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.0 54.55 1.08 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 122.006 0.908 . . . . 25.0 109.427 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.8 163.99 23.99 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.466 -0.788 . . . . 25.0 110.148 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -30.43 8.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -77.72 -33.48 53.05 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.803 0.811 . . . . 25.0 111.599 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -166.6 148.2 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.513 -2.773 . . . . 25.0 103.513 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.95 153.15 40.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 118.433 0.56 . . . . 25.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -125.87 113.36 17.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.043 0.925 . . . . 25.0 111.014 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.33 -46.27 96.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.496 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.28 -40.57 90.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.218 -0.29 . . . . 25.0 110.218 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.96 -41.07 77.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.085 0.469 . . . . 25.0 110.552 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.33 -43.62 81.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.54 -40.18 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -44.64 88.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.836 0.454 . . . . 25.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.29 99.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.054 0.454 . . . . 25.0 110.803 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.96 -33.42 75.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.248 -0.283 . . . . 25.0 110.376 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.2 -41.97 69.6 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.172 0.51 . . . . 25.0 111.885 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -63.12 -40.16 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.258 0.551 . . . . 25.0 110.38 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -35.63 81.36 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.826 -0.546 . . . . 25.0 111.094 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.68 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.927 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 51.0 m -82.38 -14.89 54.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.76 152.07 27.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.779 0.799 . . . . 25.0 112.302 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -78.2 57.29 1.82 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.852 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 25.8 t -79.0 104.52 7.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.345 0.593 . . . . 25.0 109.849 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.6 p -78.11 163.93 25.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -61.29 -31.72 71.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -72.53 -32.23 65.95 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.487 -0.758 . . . . 25.0 110.883 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -70.69 -36.54 73.34 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.57 87.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.62 -37.09 84.95 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.947 0.403 . . . . 25.0 111.437 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.66 -16.76 61.21 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.836 -0.54 . . . . 25.0 111.586 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -113.71 44.74 1.56 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 123.281 0.632 . . . . 25.0 110.182 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.9 m -64.34 -23.93 67.47 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.798 0.808 . . . . 25.0 109.948 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.68 -47.38 84.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.166 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.8 ttp -66.4 -35.25 79.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.556 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.0 mm -65.59 -37.56 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 48.7 m -66.32 -37.23 84.9 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.1 m -64.49 -43.72 93.25 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.012 -0.43 . . . . 25.0 110.934 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.41 -37.19 82.57 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.518 0.675 . . . . 25.0 109.885 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.9 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 25.0 111.736 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.38 -36.0 82.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.697 -0.627 . . . . 25.0 111.415 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 7.7 mt -61.93 -13.01 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -59.26 -12.28 5.27 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.066 1.136 . . . . 25.0 114.066 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -13.85 39.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.178 -0.326 . . . . 25.0 111.059 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -78.98 101.4 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -106.6 -2.53 21.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.16 -38.15 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 -172.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 6.4 m -127.61 120.09 27.37 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.637 -0.665 . . . . 25.0 109.867 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.86 -35.99 79.91 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.19 -36.23 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 121.673 -0.642 . . . . 25.0 111.418 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.32 -48.52 80.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 O-C-N 121.566 -0.709 . . . . 25.0 109.183 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.6 ptm -70.38 -31.69 69.05 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.639 -0.824 . . . . 25.0 112.23 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.74 -40.74 69.17 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.205 0.912 . . . . 25.0 111.352 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.76 -35.01 74.57 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.702 -0.624 . . . . 25.0 110.2 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.2 m -64.77 -41.25 96.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -66.77 -40.41 88.19 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -48.0 83.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.123 0.169 . . . . 25.0 110.802 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.58 -43.89 88.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.598 0.237 . . . . 25.0 110.934 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -60.18 -39.67 87.32 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.634 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -67.16 -46.41 74.11 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 122.071 -0.393 . . . . 25.0 110.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -34.19 64.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.723 0.409 . . . . 25.0 111.216 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -102.1 9.19 40.45 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -80.12 27.46 0.32 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 34.4 t30 62.07 100.43 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.632 1.173 . . . . 25.0 113.697 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 124.572 2.13 . . . . 25.0 112.985 179.127 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 124.916 2.293 . . . . 25.0 112.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -118.06 43.18 1.66 Allowed Glycine 0 C--N 1.34 0.785 0 O-C-N 120.637 -1.289 . . . . 25.0 111.532 -177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.51 107.85 0.74 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.381 0.61 . . . . 25.0 111.769 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 60.2 p -161.6 161.3 29.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.08 150.61 39.76 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 2.4 m 12.83 81.96 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 118.616 2.821 . . . . 25.0 118.616 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 33.21 84.06 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 170.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.61 -39.38 3.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.256 2.687 . . . . 25.0 118.256 -172.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 12.8 t80 -154.57 65.66 0.68 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.309 0.959 . . . . 25.0 112.912 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -115.67 9.8 15.33 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.972 0.415 . . . . 25.0 110.744 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -137.38 98.01 0.26 Allowed Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.325 -0.464 . . . . 25.0 113.095 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -30.02 61.75 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.96 -0.729 . . . . 25.0 111.755 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -127.7 -48.52 1.39 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.837 -0.62 . . . . 25.0 111.043 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -135.08 164.82 26.78 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -150.81 174.46 13.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 124.423 2.058 . . . . 25.0 114.792 179.064 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.502 2.146 0 CA-C-O 122.655 1.217 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -30.89 71.93 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.287 -1.508 . . . . 25.0 110.188 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.7 m -59.84 -29.23 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.611 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -72.48 -49.84 30.27 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.27 -40.9 83.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.277 0.473 . . . . 25.0 112.277 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -60.08 -47.15 87.09 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.683 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.38 -44.52 87.32 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.92 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.3 -46.95 95.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.82 -36.17 82.32 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.233 -0.292 . . . . 25.0 111.468 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.36 91.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.08 -37.76 86.25 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.449 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.57 -52.74 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -65.41 -37.14 86.04 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 120.716 -0.394 . . . . 25.0 110.922 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -74.92 -28.07 60.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.2 m -68.34 -30.84 69.89 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.298 1.222 . . . . 25.0 114.298 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 36.3 mt -116.86 45.57 1.82 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.746 0.784 . . . . 25.0 109.485 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -99.25 156.98 16.7 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.852 . . . . 25.0 109.849 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -24.07 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.487 0.66 . . . . 25.0 111.731 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.19 -40.0 78.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -164.12 81.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.75 127.82 32.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -134.55 104.94 6.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.227 1.013 . . . . 25.0 109.694 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.97 -33.39 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 115.127 -0.942 . . . . 25.0 111.427 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.17 -37.89 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -62.04 -36.78 82.62 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.846 -0.342 . . . . 25.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 26.2 t -63.97 -38.01 89.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.711 -0.396 . . . . 25.0 110.387 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 89.1 mt -67.43 -44.78 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 122.032 -0.417 . . . . 25.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.66 -42.11 95.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.928 0.394 . . . . 25.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.06 84.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.464 0.649 . . . . 25.0 110.51 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.42 -34.58 74.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.112 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -40.44 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.941 0.4 . . . . 25.0 111.165 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -62.26 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.638 0.733 . . . . 25.0 110.089 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.54 -26.67 64.61 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 120.964 -1.085 . . . . 25.0 111.572 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.3 69.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.007 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 90.5 p -89.01 -23.44 22.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.64 143.88 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.17 0.804 . . . . 25.0 113.17 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.18 58.54 2.06 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.013 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.66 126.69 38.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 35.1 p -81.09 159.64 24.68 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.05 0.452 . . . . 25.0 109.855 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.5 ptm -64.27 -27.37 69.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.537 -0.727 . . . . 25.0 111.853 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.92 -30.04 58.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 25.0 110.891 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.02 -43.59 74.47 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.03 77.66 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.956 0.408 . . . . 25.0 111.045 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.33 -39.35 90.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.251 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.21 -35.91 30.73 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.875 -0.516 . . . . 25.0 110.819 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -84.92 37.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.459 -0.2 . . . . 25.0 110.459 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 98.7 m -71.39 -23.02 61.8 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.32 -33.57 75.81 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.562 -0.711 . . . . 25.0 111.481 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -67.89 -29.27 68.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.5 -26.06 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.913 -0.492 . . . . 25.0 109.679 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.6 m -65.26 -42.38 93.33 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 121.507 -0.746 . . . . 25.0 109.188 173.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 45.1 m -65.25 -41.35 94.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.51 -0.313 . . . . 25.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.78 -46.76 86.52 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -57.86 -31.98 67.21 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -58.14 -38.54 76.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 25.0 110.064 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.411 ' H ' HG13 ' B' ' 403' ' ' ILE . 4.8 mt -65.73 -13.77 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -62.63 -12.38 22.85 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.372 -1.455 . . . . 25.0 112.471 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -83.02 -19.13 37.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.17 0.588 . . . . 25.0 111.083 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -73.87 110.05 7.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -100.16 -2.85 33.02 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -2.49 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -169.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.1 t -147.79 122.58 9.93 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.465 -0.772 . . . . 25.0 111.222 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -68.29 -31.45 70.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.69 -41.81 93.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.27 -43.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.265 -0.574 . . . . 25.0 110.844 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 ptp -69.94 -32.76 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.499 -0.88 . . . . 25.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.76 -47.53 68.98 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.893 -0.505 . . . . 25.0 111.006 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.15 -44.36 95.73 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.118 -0.364 . . . . 25.0 110.707 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.9 p -66.14 -30.32 70.79 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.34 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 88.5 m -65.28 -39.11 92.15 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.146 0.43 . . . . 25.0 111.059 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -60.37 -46.72 88.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.32 -38.24 84.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.1 -45.15 79.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.88 -42.82 69.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.723 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.25 -37.49 83.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.849 0.356 . . . . 25.0 111.491 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -109.54 20.97 17.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -173.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -66.95 5.78 0.61 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 116.657 2.095 . . . . 25.0 116.657 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 60.8 t30 53.64 67.51 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 122.419 1.104 . . . . 25.0 111.558 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 126.346 1.858 . . . . 25.0 115.593 -177.44 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 N--CA 1.511 2.62 0 CA-C-O 122.494 1.14 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 80.47 19.3 69.05 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 120.356 -1.465 . . . . 25.0 115.396 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.69 128.84 38.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.926 -1.139 . . . . 25.0 107.926 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 33.3 t -168.34 37.38 0.03 OUTLIER 'General case' 0 C--O 1.241 0.652 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -175.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -102.09 145.9 28.69 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 121.837 -0.54 . . . . 25.0 111.199 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 40.8 p -85.6 -25.3 26.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.771 -0.58 . . . . 25.0 112.545 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -157.92 133.79 9.21 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 74.6 m -134.38 154.72 51.21 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.92 0.39 . . . . 25.0 110.47 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.9 t80 -105.06 101.76 11.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.8 6.17 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.8 0.809 . . . . 25.0 109.396 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -160.78 159.64 31.18 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 108.07 -2.012 . . . . 25.0 108.07 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.86 -26.22 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -135.38 34.08 3.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 148.93 48.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.914 -1.494 . . . . 25.0 112.225 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -70.02 155.33 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.546 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 123.939 1.828 . . . . 25.0 111.762 176.43 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.796 1.76 . . . . 25.0 114.933 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.88 -32.71 74.54 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 120.735 -1.228 . . . . 25.0 109.658 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 34.0 p -59.95 -36.42 77.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -72.93 -40.19 65.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.208 -0.597 . . . . 25.0 109.831 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.73 -39.75 95.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.94 -41.79 96.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.215 -0.303 . . . . 25.0 110.715 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -61.53 -44.69 96.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.088 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.5 -47.39 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.106 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -64.54 -36.53 84.51 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.973 -0.454 . . . . 25.0 111.702 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.58 87.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -64.43 -41.4 96.61 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.64 -40.24 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.94 -0.475 . . . . 25.0 110.394 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -59.89 -29.2 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -97.0 -33.07 11.69 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 80.3 p -67.59 -16.29 64.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 68.1 mt -115.47 24.87 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 366' ' ' ASP . 1.4 ptmt -116.96 161.18 19.78 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 118.129 0.422 . . . . 25.0 110.076 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 45.8 pt -66.69 -6.07 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 117.514 2.413 . . . . 25.0 117.514 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 364' ' ' LYS . 4.6 m-20 -61.41 -39.92 92.5 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.298 0.57 . . . . 25.0 110.021 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -175.74 74.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 105.974 -1.862 . . . . 25.0 105.974 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.68 123.67 19.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.639 -172.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -126.44 100.45 6.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.517 1.151 . . . . 25.0 111.034 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.0 -40.16 79.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 114.232 -1.349 . . . . 25.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -70.75 -42.01 71.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -66.41 -27.51 67.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.818 -0.753 . . . . 25.0 111.043 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.3 t -67.59 -42.41 82.51 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.865 173.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.41 -40.46 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.33 -45.33 84.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.876 0.369 . . . . 25.0 110.91 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.07 94.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.527 . . . . 25.0 111.106 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.7 -29.95 69.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.473 -0.331 . . . . 25.0 110.647 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.38 -39.45 62.71 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.203 0.525 . . . . 25.0 111.212 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -35.53 80.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.229 0.538 . . . . 25.0 110.188 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.74 -36.46 73.15 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.32 -32.46 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 61.0 m -79.49 -17.45 54.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.031 0.443 . . . . 25.0 111.241 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.38 135.29 36.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.478 0.656 . . . . 25.0 109.693 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -79.67 69.58 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.723 -0.671 . . . . 25.0 109.421 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.86 117.43 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 65.9 p -79.38 163.33 24.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.721 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 21.8 ptp -63.99 -27.05 68.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.741 -0.599 . . . . 25.0 111.252 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -68.19 -38.72 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 25.0 109.856 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.48 -35.62 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.47 87.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.313 0.578 . . . . 25.0 110.444 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.75 -38.26 90.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 25.0 111.171 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -78.0 -25.25 47.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -121.18 44.97 2.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.308 0.575 . . . . 25.0 110.642 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 45.6 m -64.22 -14.25 54.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.631 0.729 . . . . 25.0 110.646 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -29.47 63.93 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 172.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.85 -27.92 66.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.208 -0.933 . . . . 25.0 110.098 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 34.5 mm -68.77 -38.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.3 m -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -64.75 -47.26 78.88 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.762 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.72 -35.76 77.17 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.896 0.379 . . . . 25.0 110.891 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -63.79 -37.86 88.94 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.244 -0.285 . . . . 25.0 111.336 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -69.05 -41.27 77.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.323 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.02 -18.21 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -56.84 -13.96 3.04 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -85.9 -6.3 59.09 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.12 76.29 1.76 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.912 0.863 . . . . 25.0 112.049 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.65 -23.65 66.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.877 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -19.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -176.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 47.1 t -144.53 119.86 10.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 O-C-N 121.264 -0.897 . . . . 25.0 112.631 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -74.85 -23.84 58.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.449 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.37 -42.9 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.12 -43.2 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.2 ttm -58.7 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.722 0.268 . . . . 25.0 111.722 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.23 -45.0 78.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.03 -43.01 99.89 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.701 -0.8 . . . . 25.0 110.97 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 p -67.45 -36.33 80.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.862 -0.524 . . . . 25.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.8 m -68.37 -41.87 79.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 25.0 110.96 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.3 ttp -62.06 -45.99 91.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.12 -36.81 80.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.631 0.253 . . . . 25.0 111.16 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.24 -45.63 90.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -70.35 -31.5 68.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.3 -31.45 71.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.959 0.503 . . . . 25.0 110.859 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -118.63 14.04 13.47 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.874 1.065 . . . . 25.0 113.874 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -8.69 15.51 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.09 -12.19 59.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.918 0.39 . . . . 25.0 110.663 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 125.439 2.543 . . . . 25.0 112.418 -179.76 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 N--CA 1.507 2.382 0 CA-C-O 125.383 2.516 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 89.97 -42.67 2.95 Favored Glycine 0 C--N 1.347 1.162 0 O-C-N 119.78 -1.825 . . . . 25.0 110.523 -173.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -71.93 13.92 0.25 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.148 0.979 . . . . 25.0 113.386 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -8.61 58.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.29 137.33 32.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.548 0.689 . . . . 25.0 110.708 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 2.5 t -143.07 -27.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.05 -0.406 . . . . 25.0 111.927 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . 0.418 ' CD ' HH22 ' B' ' 405' ' ' ARG . 54.8 mt-10 -81.08 128.69 34.01 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.996 0.427 . . . . 25.0 111.64 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.7 t -138.35 167.78 21.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 16.9 t80 -75.72 90.05 2.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -64.44 -44.47 91.07 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 162.2 -175.1 38.7 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.857 -0.687 . . . . 25.0 113.758 174.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -93.47 155.01 17.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 104.279 -2.489 . . . . 25.0 104.279 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -127.88 156.47 42.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 106.149 -1.797 . . . . 25.0 106.149 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.13 -39.97 17.29 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 52.76 44.0 30.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.121 0.962 . . . . 25.0 112.226 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 124.358 2.028 . . . . 25.0 113.091 177.352 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.8 ttp . . . . . 0 N--CA 1.513 2.712 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -62.82 -41.38 99.28 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.162 -0.961 . . . . 25.0 108.98 -176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 18.3 m -71.29 -26.13 62.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.971 -0.456 . . . . 25.0 111.94 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -70.66 -40.99 72.69 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.66 -41.47 96.08 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.73 -41.42 81.78 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.67 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.6 96.69 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 122.002 -0.436 . . . . 25.0 110.337 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.96 -42.71 96.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.38 -41.92 97.89 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.735 -0.603 . . . . 25.0 110.525 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.43 87.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.222 0.535 . . . . 25.0 110.164 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.61 -41.85 95.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.147 0.498 . . . . 25.0 110.202 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.44 -38.54 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.825 -0.547 . . . . 25.0 110.128 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.18 -23.2 67.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.483 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.13 -32.65 10.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.342 0.401 . . . . 25.0 112.059 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 61.1 p -72.84 -22.4 60.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -172.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 29.8 mt -108.41 26.79 10.05 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 121.171 -0.212 . . . . 25.0 111.568 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -76.46 143.69 40.36 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 33.0 pt -65.53 -22.61 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.86 -34.31 33.82 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.906 1.076 . . . . 25.0 113.906 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -147.06 62.49 1.18 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.6 OUTLIER -72.3 124.86 25.98 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 122.073 0.94 . . . . 25.0 112.952 -173.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -115.5 96.59 5.71 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 122.43 1.11 . . . . 25.0 109.404 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -44.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 114.334 -1.303 . . . . 25.0 111.55 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.47 -40.63 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.659 0.742 . . . . 25.0 112.432 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.67 -28.74 70.11 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.712 -0.618 . . . . 25.0 112.007 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.1 t -71.13 -38.13 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.429 -0.509 . . . . 25.0 111.347 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.28 -42.1 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.48 -43.12 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.675 0.75 . . . . 25.0 110.204 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.39 80.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 45.1 mt -75.18 -27.78 59.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.491 . . . . 25.0 110.924 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -40.87 48.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -59.35 -41.21 88.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.522 0.677 . . . . 25.0 109.19 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -34.67 74.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 25.0 111.057 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.37 -30.59 70.43 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.137 -0.352 . . . . 25.0 111.073 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.7 t -79.63 -31.99 41.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.879 0.872 . . . . 25.0 112.174 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.17 153.08 44.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.06 75.03 2.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.047 -0.979 . . . . 25.0 110.959 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.28 116.58 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.2 p -101.21 173.01 6.66 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.05 -34.58 75.1 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.0 -35.85 80.87 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.975 -0.453 . . . . 25.0 110.856 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.44 -36.21 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.371 -0.831 . . . . 25.0 109.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.04 -34.23 77.6 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.888 -0.508 . . . . 25.0 110.413 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.925 -0.484 . . . . 25.0 110.552 175.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.92 -33.61 75.95 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 121.642 0.734 . . . . 25.0 110.895 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -124.37 61.89 1.12 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.725 -0.67 . . . . 25.0 110.796 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 31.9 m -70.08 -20.04 63.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.275 1.036 . . . . 25.0 108.625 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.97 -28.69 70.26 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.169 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.6 ttm -62.39 -41.48 98.68 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.8 -43.12 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -63.2 -38.66 92.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.554 . . . . 25.0 111.563 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 42.8 m -68.0 -48.4 65.84 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.079 -0.388 . . . . 25.0 110.075 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.47 -38.06 76.78 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.361 0.6 . . . . 25.0 110.628 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -57.76 -33.36 68.41 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.546 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.04 -40.99 52.18 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.068 -0.395 . . . . 25.0 111.895 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.3 mt -65.33 -17.88 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.48 -10.91 13.27 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.912 -1.118 . . . . 25.0 112.467 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.418 HH22 ' CD ' ' A' 1395 ' ' GLU . 1.5 mmm180 -83.7 -14.8 50.86 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.43 72.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -73.34 -12.89 60.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.544 0.738 . . . . 25.0 111.494 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.58 -29.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.797 -1.092 . . . . 25.0 110.189 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -144.11 116.37 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 67.8 mt-30 -64.19 -32.77 74.48 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -172.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.4 -37.21 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.658 0.742 . . . . 25.0 111.578 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.97 -48.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.416 -0.803 . . . . 25.0 109.778 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 27.7 ptm -68.84 -30.92 69.56 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.153 -1.019 . . . . 25.0 110.577 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.21 -44.49 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.891 0.769 . . . . 25.0 111.635 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -67.1 -39.12 86.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 118.58 0.627 . . . . 25.0 109.997 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 55.5 p -69.34 -35.78 76.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.348 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.1 m -68.83 -39.07 80.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.778 0.717 . . . . 25.0 109.325 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.8 ttp -60.9 -47.53 85.99 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 110.483 -0.191 . . . . 25.0 110.483 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.43 -37.54 83.17 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 122.147 -0.346 . . . . 25.0 111.299 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.77 -42.55 93.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.936 0.398 . . . . 25.0 110.134 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.0 -37.96 72.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.165 -0.334 . . . . 25.0 111.658 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.35 -37.92 73.33 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.258 0.551 . . . . 25.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -101.78 7.39 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -77.38 -0.64 26.49 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -176.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -101.18 21.78 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.5 2.041 0 N-CA-C 116.231 1.937 . . . . 25.0 116.231 179.31 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 124.315 2.007 . . . . 25.0 116.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -84.29 95.41 1.92 Allowed Glycine 0 C--N 1.346 1.098 0 O-C-N 119.972 -1.705 . . . . 25.0 113.596 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -29.81 70.38 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.423 0.612 . . . . 25.0 112.139 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 8.3 m 51.39 52.95 13.72 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 117.452 2.39 . . . . 25.0 117.452 171.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.63 135.69 56.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.752 -0.832 . . . . 25.0 108.752 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 45.1 p -105.2 -5.55 20.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.733 1.383 . . . . 25.0 114.733 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -112.55 24.17 12.77 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.546 0.689 . . . . 25.0 110.979 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.6 m -88.1 159.18 18.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.467 . . . . 25.0 111.4 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.78 84.33 2.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 173.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -114.18 6.0 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 175.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -173.92 166.55 38.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 109.689 -1.364 . . . . 25.0 109.689 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.36 157.07 16.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.22 -25.53 63.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.149 0.499 . . . . 25.0 109.714 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 50.26 28.13 3.01 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.248 1.203 . . . . 25.0 114.248 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -66.68 143.61 56.87 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.568 0.699 . . . . 25.0 109.958 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 49.1 t0 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 123.973 1.844 . . . . 25.0 112.301 176.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.427 1.64 . . . . 25.0 115.427 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -51.78 -50.6 60.42 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.361 -0.837 . . . . 25.0 112.188 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.7 m -59.76 -30.77 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -73.44 -38.17 65.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.669 -0.644 . . . . 25.0 109.669 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.58 -40.04 92.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -63.88 -37.24 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -61.53 -43.9 98.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.217 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.22 -40.33 82.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.086 -0.384 . . . . 25.0 110.548 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.82 95.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.233 -0.284 . . . . 25.0 110.233 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.53 -39.59 91.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.981 0.419 . . . . 25.0 110.427 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.49 -40.73 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 121.569 -0.707 . . . . 25.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.8 -38.85 86.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.023 -0.423 . . . . 25.0 110.244 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -78.35 -30.42 48.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -76.75 -22.51 53.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.445 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.4 mt -114.71 47.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 25.0 110.648 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.07 160.15 15.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.731 0.412 . . . . 25.0 111.87 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 48.9 pt -75.82 -15.57 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.15 -42.64 25.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -163.6 113.39 1.3 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 104.578 -2.379 . . . . 25.0 104.578 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.2 tt -100.61 116.04 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.276 0.56 . . . . 25.0 112.265 -174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -101.27 93.45 5.44 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 122.323 1.058 . . . . 25.0 110.51 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.4 -43.37 82.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.658 -1.155 . . . . 25.0 111.22 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.73 -42.26 86.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.067 -0.395 . . . . 25.0 111.69 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 25.0 111.758 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.75 -41.48 98.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.71 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.5 mt -65.88 -41.76 90.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.37 -46.9 86.53 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.116 0.484 . . . . 25.0 110.913 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.33 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 25.0 111.175 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.11 -36.76 85.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.122 -0.361 . . . . 25.0 110.537 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.19 -37.62 72.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.11 -41.81 93.39 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.083 0.468 . . . . 25.0 110.337 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.45 77.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 25.0 110.327 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.15 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.231 -0.293 . . . . 25.0 111.314 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 26.5 t -79.69 -18.71 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 25.0 111.823 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.7 mt -72.38 139.5 47.88 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.919 0.866 . . . . 25.0 113.17 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -83.45 71.1 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.914 -1.039 . . . . 25.0 109.666 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.02 118.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.7 p -76.4 160.28 29.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 28.6 ptm -57.27 -33.51 67.7 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.04 -42.59 84.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.186 0.517 . . . . 25.0 110.337 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.27 -34.64 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.85 89.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 25.0 110.227 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.03 -38.21 66.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.208 0.528 . . . . 25.0 111.326 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -67.04 -36.05 81.21 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -98.33 67.08 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.91 0.862 . . . . 25.0 110.429 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -22.77 60.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.151 -0.931 . . . . 25.0 111.183 -172.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.26 -29.08 64.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.878 -0.601 . . . . 25.0 111.572 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 13.7 mm -75.05 -35.05 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.781 -0.645 . . . . 25.0 109.944 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -60.5 -42.93 97.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 22.4 m -62.87 -45.4 92.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 119.548 -0.263 . . . . 25.0 110.984 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.32 -39.17 72.33 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.347 0.594 . . . . 25.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.34 -34.86 79.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.82 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.03 -43.75 61.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.11 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -10.98 17.84 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.499 -0.75 . . . . 25.0 111.81 176.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -81.03 -12.4 59.35 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -67.74 80.46 0.19 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -69.04 -23.36 64.05 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.926 1.29 . . . . 25.0 111.764 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -23.31 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.2 t -145.54 120.07 9.74 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -64.53 -29.89 70.92 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.673 -0.694 . . . . 25.0 110.513 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.44 -40.82 87.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 O-C-N 122.29 -0.256 . . . . 25.0 111.075 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.84 -43.51 82.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.671 -0.643 . . . . 25.0 111.059 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 ptm -69.8 -30.34 67.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 119.759 -0.776 . . . . 25.0 110.535 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -69.68 -46.14 66.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.675 -0.641 . . . . 25.0 110.858 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.32 -45.55 93.96 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 110.389 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 21.7 p -63.36 -38.24 90.37 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.183 -0.607 . . . . 25.0 111.021 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -40.05 88.59 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.087 -0.383 . . . . 25.0 110.39 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -43.37 98.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.319 . . . . 25.0 110.606 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.04 -38.0 81.99 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.173 -0.329 . . . . 25.0 110.239 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.28 -40.39 93.95 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.547 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.82 -41.12 97.93 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.45 0.167 . . . . 25.0 111.45 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.42 81.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.924 -0.311 . . . . 25.0 111.343 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -75.43 -21.4 58.21 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.096 -0.642 . . . . 25.0 111.562 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -87.24 61.91 6.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.37 1.081 . . . . 25.0 108.567 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 C--O 1.209 -1.035 0 CA-C-O 123.809 1.766 . . . . 25.0 114.594 -175.619 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 124.405 2.05 . . . . 25.0 115.453 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -172.67 43.07 0.17 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 119.791 -1.818 . . . . 25.0 113.271 -174.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -71.73 143.07 49.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 46.5 t -148.75 148.2 29.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.24 22.73 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 77.9 p -142.34 143.44 32.75 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.614 -175.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -95.68 -65.13 0.99 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.188 0.518 . . . . 25.0 111.861 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 21.7 t 59.45 85.58 0.1 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 74.67 70.96 0.1 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.048 1.339 . . . . 25.0 110.289 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.52 8.09 19.16 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 121.527 0.679 . . . . 25.0 109.429 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -169.29 -169.25 32.39 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-O 122.089 0.827 . . . . 25.0 114.693 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.91 150.55 51.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 101.658 -3.46 . . . . 25.0 101.658 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.4 mp0 54.13 44.01 29.82 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.652 1.215 . . . . 25.0 108.472 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -62.96 128.32 35.32 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 113.721 -1.581 . . . . 25.0 107.133 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -90.28 170.42 10.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.427 1.108 . . . . 25.0 110.742 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 39.4 t0 . . . . . 0 C--O 1.213 -0.839 0 CA-C-O 124.679 2.18 . . . . 25.0 111.223 176.311 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . 0.412 ' HG3' HE22 ' B' ' 389' ' ' GLN . 14.6 tpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.67 -31.4 72.4 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.107 -1.62 . . . . 25.0 110.046 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -30.27 69.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.96 -0.563 . . . . 25.0 111.318 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -68.58 -44.53 74.22 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.16 -41.63 97.07 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.727 0.299 . . . . 25.0 110.392 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.17 -37.75 86.39 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.902 -0.319 . . . . 25.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.39 -43.96 96.08 Favored 'General case' 0 C--O 1.211 -0.928 0 O-C-N 121.592 -0.693 . . . . 25.0 110.264 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.6 mt -64.4 -41.06 91.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -60.17 -40.9 91.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.793 -0.567 . . . . 25.0 111.251 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.56 -35.06 76.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 25.0 110.618 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -64.9 -30.23 71.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 119.447 -0.311 . . . . 25.0 110.372 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.75 -44.6 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -65.51 -40.52 93.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.388 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.74 -31.68 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 50.8 m -75.01 -22.66 58.37 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.84 50.75 1.92 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -77.5 158.88 29.72 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 123.305 0.642 . . . . 25.0 111.78 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -35.29 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -70.13 -39.99 75.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.54 145.01 3.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 103.561 -2.755 . . . . 25.0 103.561 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 pp -145.84 152.55 39.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.922 0.783 . . . . 25.0 111.406 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.28 118.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.499 1.142 . . . . 25.0 112.275 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.35 -41.72 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 113.794 -1.548 . . . . 25.0 110.374 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.85 -39.27 80.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.909 -0.495 . . . . 25.0 111.993 -175.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.605 0.241 . . . . 25.0 110.569 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 16.8 t -66.08 -41.79 90.25 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.928 -0.309 . . . . 25.0 110.658 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.87 -43.35 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.47 -44.81 93.37 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 111.73 0.27 . . . . 25.0 111.73 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.19 89.19 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.489 0.662 . . . . 25.0 111.508 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.53 -33.1 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.027 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -33.35 57.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.417 -0.513 . . . . 25.0 112.312 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.72 -44.79 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -36.05 81.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.106 -0.331 . . . . 25.0 110.106 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.44 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.749 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.4 t -79.93 -23.29 41.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 25.0 112.004 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.47 146.94 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.495 0.664 . . . . 25.0 111.63 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.02 64.18 3.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.326 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.11 143.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 75.8 p -111.89 164.67 12.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 25.0 112.154 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 17.4 ttt -59.65 -38.31 81.06 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.218 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.39 -30.04 68.87 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.966 -0.694 . . . . 25.0 111.485 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.412 HE22 ' HG3' ' B' ' 348' ' ' MET . 81.9 mt-30 -71.65 -37.32 70.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.61 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.9 91.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.96 0.41 . . . . 25.0 111.047 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.2 -25.42 64.32 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.984 -0.447 . . . . 25.0 112.151 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -118.84 44.43 2.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.522 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -63.89 -21.67 66.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.526 1.155 . . . . 25.0 108.613 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.85 -42.78 85.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.538 -0.755 . . . . 25.0 112.27 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -72.31 -25.31 61.52 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.551 -0.718 . . . . 25.0 110.583 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.22 -34.74 68.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -70.32 -38.25 74.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.175 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 82.4 m -62.1 -42.21 99.0 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.915 -0.491 . . . . 25.0 111.254 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.73 -35.81 75.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 117.879 0.309 . . . . 25.0 110.324 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.29 -33.85 76.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.744 -0.207 . . . . 25.0 111.038 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -66.59 -38.71 87.59 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.734 -0.604 . . . . 25.0 112.105 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.6 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 -171.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -10.91 30.25 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.175 -0.953 . . . . 25.0 111.549 172.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -80.77 -25.77 37.7 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 119.38 -0.343 . . . . 25.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -69.21 110.17 4.45 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -106.1 -7.1 18.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.29 1.589 . . . . 25.0 115.29 -172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.93 -30.84 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 25.0 111.022 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -135.79 120.78 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.83 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.686 0.625 . . . . 25.0 112.686 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.83 -32.85 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.585 0.707 . . . . 25.0 110.629 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.92 -47.95 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.862 -0.524 . . . . 25.0 110.243 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -70.01 -30.31 67.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.6 -0.84 . . . . 25.0 111.2 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.81 -41.98 58.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.106 -0.996 . . . . 25.0 111.309 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.47 -36.15 78.57 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.576 -0.703 . . . . 25.0 111.477 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.8 p -67.5 -37.24 82.52 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.944 -0.702 . . . . 25.0 109.981 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -67.84 -39.16 83.88 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -60.33 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.94 -43.73 98.23 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 122.19 -0.319 . . . . 25.0 111.372 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.45 -44.52 80.57 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.463 0.649 . . . . 25.0 110.55 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -70.11 -35.77 74.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.864 -0.523 . . . . 25.0 111.906 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -64.38 -34.19 77.58 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.36 -42.03 68.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 25.0 111.875 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -72.52 -10.45 59.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 119.968 -0.693 . . . . 25.0 112.137 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -69.53 -16.81 63.5 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.815 0.817 . . . . 25.0 110.752 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 75.8 mtm . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 125.057 2.36 . . . . 25.0 112.162 178.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 N--CA 1.511 2.623 0 N-CA-C 116.127 1.899 . . . . 25.0 116.127 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -85.07 42.33 3.14 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 120.535 -1.353 . . . . 25.0 112.649 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.69 147.83 47.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 50.0 m -99.77 133.05 44.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.41 140.45 50.57 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 103.598 -2.741 . . . . 25.0 103.598 168.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 8.9 t -172.72 -2.66 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -93.72 80.7 4.24 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.077 -1.014 . . . . 25.0 112.188 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 2.8 m -102.14 161.72 13.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.301 1.593 . . . . 25.0 115.301 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -88.86 107.82 19.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -55.3 14.74 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 119.887 3.292 . . . . 25.0 119.887 -174.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 164.16 67.93 0.02 OUTLIER Glycine 0 C--N 1.325 -0.07 0 N-CA-C 116.956 1.542 . . . . 25.0 116.956 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 0.2 OUTLIER -81.1 -31.18 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 173.046 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.81 -79.62 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 119.024 -0.513 . . . . 25.0 111.541 -177.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.13 170.56 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -126.32 158.35 36.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.156 0.503 . . . . 25.0 109.816 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 125.526 2.584 . . . . 25.0 112.743 -179.643 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.04 -46.82 75.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.97 0.908 . . . . 25.0 109.504 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 p -60.99 -29.35 69.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.53 -39.16 62.53 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 121.396 -0.815 . . . . 25.0 109.842 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.608 -0.515 . . . . 25.0 109.608 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -62.82 -40.54 97.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.745 0.307 . . . . 25.0 111.009 176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -63.21 -43.66 97.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 111.076 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.57 -41.27 88.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -57.77 -42.03 83.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.088 -0.383 . . . . 25.0 111.508 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.88 97.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 25.0 110.351 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -63.65 -35.8 81.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.408 . . . . 25.0 110.734 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.45 -39.14 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.047 -0.408 . . . . 25.0 110.185 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 17.4 mtpt -65.17 -37.61 87.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.054 -0.658 . . . . 25.0 110.258 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -76.26 -34.26 59.14 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 88.4 p -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 83.0 mt -135.28 30.86 3.23 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.984 0.421 . . . . 25.0 111.309 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -68.04 163.05 23.19 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 120.668 0.271 . . . . 25.0 110.7 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 36.5 pt -93.31 -7.62 10.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 116.722 -0.217 . . . . 25.0 110.827 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -83.77 -33.1 25.09 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.573 0.702 . . . . 25.0 111.983 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 11.6 t30 175.21 144.37 0.06 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 102.309 -3.219 . . . . 25.0 102.309 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.79 154.9 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.76 1.392 . . . . 25.0 114.76 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -104.47 101.6 11.27 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.65 -0.704 . . . . 25.0 110.732 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.36 -44.54 75.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.044 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -66.05 -37.48 85.94 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.64 -34.54 78.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.318 0.508 . . . . 25.0 110.249 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.91 -43.43 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.193 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.76 -43.8 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.43 -39.08 93.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.087 0.47 . . . . 25.0 111.138 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.964 0.411 . . . . 25.0 110.428 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.65 -42.52 91.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.274 -0.421 . . . . 25.0 110.218 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.33 -39.48 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 25.0 111.858 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.05 -42.08 93.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.796 0.331 . . . . 25.0 110.492 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -35.9 77.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.045 0.45 . . . . 25.0 110.543 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.27 75.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.5 m -80.35 -12.76 59.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 136.71 52.97 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.292 1.044 . . . . 25.0 113.492 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -83.24 60.06 5.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.34 -1.3 . . . . 25.0 108.858 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.62 139.81 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.388 -0.824 . . . . 25.0 109.679 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 60.5 p -81.01 162.3 23.88 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.114 0.483 . . . . 25.0 110.375 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.6 ttt -61.48 -41.24 96.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.601 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.25 -34.72 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.154 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -68.78 -39.15 80.34 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.167 -0.613 . . . . 25.0 110.26 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.08 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -64.26 -33.49 75.94 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 122.454 0.301 . . . . 25.0 111.682 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -75.72 -28.94 58.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -101.57 46.96 0.92 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.043 0.386 . . . . 25.0 112.043 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m -64.36 -27.41 69.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.95 0.881 . . . . 25.0 109.414 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.99 -33.37 74.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.392 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -64.69 -34.4 78.21 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.601 -0.687 . . . . 25.0 109.486 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.9 mm -67.79 -35.04 71.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -63.52 -40.28 96.62 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.125 -0.36 . . . . 25.0 110.034 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 9.3 m -59.63 -49.16 78.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.52 -46.68 88.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.12 0.486 . . . . 25.0 110.618 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -49.79 -40.97 43.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -61.63 -44.36 97.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 23.4 mt -54.41 -18.05 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -57.59 -21.81 41.19 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.907 -1.12 . . . . 25.0 112.287 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -82.43 -7.75 59.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -74.73 72.34 2.0 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 166.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -72.65 -2.03 18.51 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.788 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.426 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.9 OUTLIER -71.11 -29.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.518 -177.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 46.5 t -124.88 120.15 30.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -72.95 -30.24 63.71 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.1 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.66 -39.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.681 -0.637 . . . . 25.0 110.705 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.42 -43.79 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.465 -0.494 . . . . 25.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.82 -27.86 64.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 119.398 -0.921 . . . . 25.0 111.113 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.61 -45.92 77.57 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.619 -0.676 . . . . 25.0 110.218 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.59 -38.95 92.77 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 50.3 m -60.67 -35.94 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.226 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . 0.494 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 38.4 m -68.17 -37.03 80.54 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.979 -0.45 . . . . 25.0 111.449 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.1 -42.74 99.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.41 -37.69 74.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 119.308 -0.377 . . . . 25.0 111.657 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 24.4 m-85 -57.48 -42.66 83.09 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.62 -36.04 82.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 25.0 110.558 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.24 21.17 17.82 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -71.36 -11.5 60.93 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -160.97 -56.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 122.53 1.157 . . . . 25.0 108.004 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.86 2.266 . . . . 25.0 112.685 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 123.189 1.471 . . . . 25.0 114.142 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -88.06 164.2 33.67 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.919 -1.113 . . . . 25.0 113.4 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -87.39 162.73 17.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.11 0.481 . . . . 25.0 111.853 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 12.3 m -79.8 57.02 2.43 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.975 0.51 . . . . 25.0 111.205 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.95 58.96 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 1.2 p -141.86 -53.35 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.571 -0.706 . . . . 25.0 112.897 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -96.75 138.4 34.37 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.74 1.385 . . . . 25.0 114.74 -174.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 70.8 m -135.11 -30.96 1.02 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-N 114.84 -1.073 . . . . 25.0 112.184 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' B' ' 403' ' ' ILE . 1.6 t80 -99.39 -18.55 17.44 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 57.95 70.92 0.61 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.478 1.132 . . . . 25.0 110.415 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.59 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 108.753 -1.739 . . . . 25.0 108.753 -171.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 23.4 t80 -99.29 10.05 42.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.871 0.835 . . . . 25.0 111.353 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -158.05 -53.74 0.07 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 169.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -159.29 -0.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.936 -0.574 . . . . 25.0 112.265 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -159.95 165.7 31.54 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 123.7 1.714 . . . . 25.0 111.541 174.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . 0.401 ' HB3' HE22 ' B' ' 389' ' ' GLN . 35.6 p-10 -62.73 -36.85 84.33 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.792 -177.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.2 t -60.1 -42.1 93.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.948 0.404 . . . . 25.0 111.419 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -66.27 -41.39 89.95 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.915 -0.714 . . . . 25.0 109.267 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.88 -40.35 92.67 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.006 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -59.42 -41.37 89.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.213 -0.304 . . . . 25.0 111.511 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -62.9 -44.46 96.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.14 -43.67 98.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -61.07 -38.05 84.85 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.975 0.416 . . . . 25.0 111.204 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.69 80.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.882 0.372 . . . . 25.0 110.022 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.73 -41.91 90.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -73.21 -43.3 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.91 -0.494 . . . . 25.0 111.413 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.17 -41.06 97.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 -175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.9 p -73.35 -11.39 60.47 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' 1397 ' ' PHE . 64.0 mt -114.56 15.83 17.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.823 0.344 . . . . 25.0 111.363 -177.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -77.77 142.88 38.38 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 34.4 pt -68.27 -12.87 16.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.761 0.791 . . . . 25.0 111.473 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.07 -36.1 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.995 -1.002 . . . . 25.0 112.609 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -168.42 65.75 0.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.634 -0.876 . . . . 25.0 108.634 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 125.19 26.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.442 . . . . 25.0 112.178 -173.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -128.42 103.29 7.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.292 1.044 . . . . 25.0 110.575 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.43 -39.96 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.002 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.82 -43.97 82.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 120.831 0.348 . . . . 25.0 110.384 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.22 -31.73 72.74 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.982 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 19.9 t -62.75 -43.26 99.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -43.77 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.462 -0.336 . . . . 25.0 110.489 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -39.23 92.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 122.059 -0.401 . . . . 25.0 111.854 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.83 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.453 0.644 . . . . 25.0 110.313 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.58 -37.5 73.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.405 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.5 -32.08 64.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.78 -25.53 61.2 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 120.987 -1.071 . . . . 25.0 108.938 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -39.36 75.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 174.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.57 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.567 0.347 . . . . 25.0 111.845 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 13.5 t -79.29 -18.49 52.57 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.634 0.73 . . . . 25.0 109.762 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.35 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.147 0.499 . . . . 25.0 109.75 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.15 79.24 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.24 156.17 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.934 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 72.1 p -78.22 161.52 27.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -63.5 -26.1 68.56 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.735 0.302 . . . . 25.0 110.778 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -64.31 -39.77 94.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 25.0 109.908 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.401 HE22 ' HB3' ' B' ' 349' ' ' ASP . 15.8 mm100 -72.57 -35.47 67.97 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.99 92.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.53 -36.07 68.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 25.0 111.253 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.67 -31.99 73.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.557 0.694 . . . . 25.0 109.634 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -114.21 50.67 0.92 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.596 -0.729 . . . . 25.0 110.646 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 95.7 m -63.62 -22.76 67.07 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.122 0.963 . . . . 25.0 108.741 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.58 -33.46 68.2 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.353 -0.84 . . . . 25.0 112.425 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.87 -36.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.806 -0.559 . . . . 25.0 109.835 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.44 -39.96 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 27.9 m -63.75 -44.56 93.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.506 -0.554 . . . . 25.0 109.506 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 47.9 m -60.27 -45.46 93.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.057 0.392 . . . . 25.0 112.057 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.15 -35.77 76.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.41 0.624 . . . . 25.0 111.793 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -64.28 -34.79 78.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.528 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -72.29 -44.96 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.537 ' HA ' ' CZ ' ' A' 1397 ' ' PHE . 0.1 OUTLIER -57.94 -13.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -176.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.06 -17.01 50.12 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.36 -15.88 51.21 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' 1397 ' ' PHE . 25.1 t80 -48.6 117.66 2.14 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.988 0.423 . . . . 25.0 110.485 174.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -96.03 -36.35 11.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.092 1.886 . . . . 25.0 116.092 -164.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.23 -9.07 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 114.991 1.478 . . . . 25.0 114.991 -170.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.3 t -143.75 120.45 11.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.4 0.619 . . . . 25.0 110.495 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -76.06 -9.78 58.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.603 -0.726 . . . . 25.0 111.65 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.35 -41.94 86.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.603 -0.686 . . . . 25.0 109.777 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.58 -42.43 86.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 122.372 -0.205 . . . . 25.0 111.504 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.6 ptm -65.95 -33.47 75.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.526 -0.734 . . . . 25.0 110.531 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -72.38 -44.38 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -63.05 -39.36 94.51 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.664 -0.648 . . . . 25.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 69.2 p -70.23 -39.98 74.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 2.3 t -72.96 -28.81 62.63 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.818 -0.551 . . . . 25.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 58.5 ttp -60.81 -48.91 79.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.941 0.4 . . . . 25.0 110.216 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.66 -43.36 93.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 25.0 110.03 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -57.36 -40.44 78.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.13 -0.487 . . . . 25.0 110.737 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.06 -42.08 89.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.618 -0.265 . . . . 25.0 111.461 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.0 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.976 -0.29 . . . . 25.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -74.96 -32.17 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -77.57 -17.98 57.35 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.586 -0.696 . . . . 25.0 111.536 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -135.65 75.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.991 0.9 . . . . 25.0 109.585 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.209 -1.065 0 CA-C-O 124.629 2.157 . . . . 25.0 112.339 179.115 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.513 2.687 0 N-CA-C 116.555 2.057 . . . . 25.0 116.555 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -163.65 169.0 38.5 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 119.914 -1.741 . . . . 25.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.72 157.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.179 0.514 . . . . 25.0 110.904 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 19.5 m -93.63 37.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.642 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -70.79 -30.91 67.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.959 -0.463 . . . . 25.0 111.689 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 37.3 p -78.21 -9.38 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.046 0.451 . . . . 25.0 111.592 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.93 52.61 2.46 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 80.6 p -134.07 170.23 15.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -101.39 -56.45 2.3 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 18.6 t80 63.14 -43.36 0.21 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.444 2.387 . . . . 25.0 117.444 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -177.16 -179.81 47.67 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 109.055 -1.618 . . . . 25.0 109.055 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' B' ' 360' ' ' LYS . 1.1 m-85 -94.11 -7.87 41.22 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.833 1.049 . . . . 25.0 113.833 -177.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.33 -12.64 61.4 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.67 -6.8 8.58 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.518 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -97.99 7.35 46.47 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 121.787 -0.571 . . . . 25.0 110.993 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 N--CA 1.5 2.035 0 C-N-CA 126.393 1.877 . . . . 25.0 114.549 -178.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.312 1.529 . . . . 25.0 114.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -64.32 -36.78 85.23 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.073 -0.967 . . . . 25.0 111.357 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.1 m -61.71 -30.91 71.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.509 0.671 . . . . 25.0 111.05 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -77.49 -36.41 52.72 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.778 -0.576 . . . . 25.0 110.589 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.26 -38.5 85.23 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.64 -0.424 . . . . 25.0 110.209 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.66 -42.36 98.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.066 -0.254 . . . . 25.0 110.347 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.29 -44.83 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.184 -0.322 . . . . 25.0 111.479 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.08 -41.25 86.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.01 -41.22 96.12 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.045 -0.409 . . . . 25.0 112.043 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.02 87.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.622 0.725 . . . . 25.0 110.587 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.63 -28.61 69.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.125 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.91 -45.95 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 121.727 0.775 . . . . 25.0 110.423 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' 1400 ' ' PHE . 40.6 mtpt -67.48 -35.12 78.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.297 -0.561 . . . . 25.0 111.72 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . 0.406 ' HA ' ' HE3' ' B' ' 364' ' ' LYS . 87.3 m-20 -70.1 -32.79 70.99 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 56.6 p -88.04 -5.6 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.8 41.97 3.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.381 0.61 . . . . 25.0 111.537 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 361' ' ' ASN . 99.4 mttt -71.12 172.55 8.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.849 -0.614 . . . . 25.0 109.884 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.907 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.53 -36.19 16.53 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.911 1.449 . . . . 25.0 114.911 -170.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -136.39 105.3 5.9 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 2.1 pp -133.76 154.89 50.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -117.84 105.2 11.69 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.263 0.554 . . . . 25.0 110.863 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.92 -45.01 87.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 114.969 -1.014 . . . . 25.0 111.999 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -71.46 -36.68 71.28 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.399 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -62.96 -34.75 78.18 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.864 -0.522 . . . . 25.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.81 -41.23 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.371 0.605 . . . . 25.0 110.437 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.57 -46.52 94.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.106 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.73 -44.59 93.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.118 0.485 . . . . 25.0 111.337 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.89 97.51 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.253 0.549 . . . . 25.0 110.568 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.49 -41.37 76.2 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.897 -0.502 . . . . 25.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.29 -37.56 83.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.948 0.34 . . . . 25.0 111.711 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -64.06 -39.89 95.06 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.531 -0.731 . . . . 25.0 109.881 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -32.08 73.48 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.278 0.561 . . . . 25.0 110.676 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.38 71.93 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.515 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 24.9 m -79.56 -20.78 46.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 114.217 1.191 . . . . 25.0 114.217 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.53 131.06 41.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.34 0.591 . . . . 25.0 112.121 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -83.12 55.97 3.32 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.686 0.755 . . . . 25.0 109.704 174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.79 134.73 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 76.8 p -81.87 160.22 23.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.274 0.559 . . . . 25.0 112.003 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -62.34 -28.36 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.87 -33.95 68.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.278 0.561 . . . . 25.0 111.006 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -78.85 -35.28 44.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.299 -0.876 . . . . 25.0 110.328 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.69 68.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.704 0.402 . . . . 25.0 110.986 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.6 -32.26 65.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.96 0.504 . . . . 25.0 112.248 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.04 -7.04 53.77 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.29 43.09 3.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.29 -0.414 . . . . 25.0 112.063 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -64.6 -29.01 70.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.939 0.876 . . . . 25.0 109.706 -176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -62.77 -35.75 80.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.794 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.48 -31.17 71.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.194 0.521 . . . . 25.0 110.077 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.41 -38.33 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.0 m -64.42 -40.87 96.6 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.6 m -60.79 -45.07 95.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 119.602 -0.237 . . . . 25.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.17 -38.93 71.58 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.1 0.476 . . . . 25.0 110.602 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.83 -31.63 72.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 25.0 112.074 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.54 -36.84 71.11 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.21 0.459 . . . . 25.0 111.217 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.51 -17.57 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -171.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -12.52 15.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.777 -1.202 . . . . 25.0 112.79 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.25 -14.17 50.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.28 95.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.505 -0.747 . . . . 25.0 112.134 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -100.03 6.11 45.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.93 -24.85 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -150.85 119.98 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.39 -25.25 64.96 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 25.0 111.609 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.91 -37.44 54.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-O 121.79 0.805 . . . . 25.0 110.48 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.11 -42.21 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 121.948 -0.47 . . . . 25.0 112.16 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -68.54 -30.98 69.89 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.518 -0.739 . . . . 25.0 110.438 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -67.61 -52.49 37.74 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.46 -41.76 98.61 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.137 -0.352 . . . . 25.0 111.64 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 52.2 p -64.92 -36.89 85.84 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.985 -0.686 . . . . 25.0 111.744 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 59.3 m -65.57 -39.44 91.67 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.58 -43.14 97.85 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 122.135 -0.353 . . . . 25.0 110.714 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.2 -38.21 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.144 -0.347 . . . . 25.0 111.568 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -62.11 -38.61 89.53 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -67.89 -32.86 73.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.02 -33.4 74.29 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -101.03 23.58 10.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.243 1.571 . . . . 25.0 115.243 -177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.49 -26.28 68.46 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 172.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.49 97.47 11.21 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 169.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 118.438 2.755 . . . . 25.0 118.438 -171.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -97.67 178.81 32.71 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 121.102 -0.998 . . . . 25.0 112.34 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -127.29 151.1 49.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 14.0 m 53.77 26.04 5.67 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.645 1.35 . . . . 25.0 114.645 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.76 -32.05 68.91 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 9.0 t -136.99 26.92 2.96 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.685 0.755 . . . . 25.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.73 127.25 32.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.681 0.753 . . . . 25.0 110.772 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 42.4 p -154.92 -177.53 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.22 112.86 6.07 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 172.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -56.54 99.1 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.248 -0.887 . . . . 25.0 112.106 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 127.93 10.21 3.59 Favored Glycine 0 C--O 1.242 0.623 0 CA-C-N 116.48 -0.327 . . . . 25.0 112.716 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.26 28.83 7.99 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.558 0.694 . . . . 25.0 110.816 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -81.15 57.28 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -75.55 124.6 27.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.574 -171.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 55.7 38.31 29.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.08 -0.964 . . . . 25.0 111.746 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 123.447 1.594 . . . . 25.0 111.23 177.061 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.38 -57.59 11.61 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.061 -1.024 . . . . 25.0 113.061 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 2.5 m -64.77 -28.23 69.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.829 -0.545 . . . . 25.0 112.46 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 32.3 tpt85 -66.19 -46.93 75.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.41 -37.98 71.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.673 -177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -55.36 -47.02 76.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.636 0.255 . . . . 25.0 110.433 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -63.83 -44.8 92.14 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.623 -0.431 . . . . 25.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.24 -43.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.78 -40.44 92.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.621 0.248 . . . . 25.0 111.28 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.9 87.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.858 0.361 . . . . 25.0 110.568 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.99 -30.2 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.358 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.65 -44.82 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.08 -41.01 67.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -37.53 87.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 58.7 p -77.59 -10.64 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.453 1.279 . . . . 25.0 114.453 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.22 15.83 11.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -81.85 157.04 24.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.007 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.82 -21.11 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.114 -0.493 . . . . 25.0 111.231 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.06 -33.42 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.576 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -170.42 95.35 0.23 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.514 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.47 116.09 16.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -127.54 92.88 3.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.789 1.28 . . . . 25.0 109.905 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.09 -41.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.112 -1.403 . . . . 25.0 111.19 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.43 -38.6 74.6 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.155 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -61.21 -37.83 84.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.007 0.432 . . . . 25.0 110.635 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.4 t -65.14 -42.68 93.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.305 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.63 -44.6 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.88 -43.85 97.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.734 0.302 . . . . 25.0 110.707 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.44 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.33 0.586 . . . . 25.0 110.728 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.26 -38.51 75.13 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.943 -0.473 . . . . 25.0 111.005 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -74.81 -26.92 60.06 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.953 -0.467 . . . . 25.0 111.327 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.89 -41.77 92.32 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 170.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -37.49 81.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.71 -24.9 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 25.0 111.439 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.0 m -84.0 -8.34 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.529 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.0 mt -96.77 136.08 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.588 0.709 . . . . 25.0 110.874 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.17 62.14 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.623 0.725 . . . . 25.0 110.947 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.08 121.02 25.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.1 p -87.21 165.74 15.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.779 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 19.9 ptp -62.29 -26.54 68.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.624 0.249 . . . . 25.0 111.257 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.75 -39.7 80.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 25.0 110.207 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.02 -34.35 61.89 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.65 74.05 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 122.181 -0.325 . . . . 25.0 110.581 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.39 -20.61 66.45 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.85 -15.16 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.415 0.626 . . . . 25.0 110.775 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -127.86 45.0 2.82 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -26.73 66.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 122.303 1.049 . . . . 25.0 111.013 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -69.19 -29.04 66.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.577 -1.192 . . . . 25.0 111.253 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 61.7 ttp -67.83 -31.97 72.18 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.39 -35.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.3 m -62.19 -41.43 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 55.4 m -62.83 -45.73 91.22 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.151 -0.343 . . . . 25.0 110.915 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.72 -36.24 76.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.481 0.658 . . . . 25.0 111.059 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -61.77 -34.5 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.808 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.83 -55.31 5.95 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -25.71 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 116.515 2.043 . . . . 25.0 116.515 -164.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -62.02 -10.86 11.03 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -81.09 -17.47 49.91 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -49.62 107.5 0.15 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.475 0.655 . . . . 25.0 112.388 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -65.69 -31.95 73.24 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.116 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.53 7.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 115.422 1.638 . . . . 25.0 115.422 -163.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 48.0 t -148.42 119.95 7.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.92 0.867 . . . . 25.0 112.619 173.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.61 -24.2 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.61 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.97 -39.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 121.869 -0.519 . . . . 25.0 109.629 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.02 -42.23 95.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.67 -30.63 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.077 -1.049 . . . . 25.0 112.28 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -46.76 60.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.685 0.675 . . . . 25.0 110.047 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.62 -47.37 85.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.258 0.552 . . . . 25.0 111.588 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 44.4 p -65.42 -36.52 84.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.633 -0.427 . . . . 25.0 111.01 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.9 m -69.54 -41.87 75.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.968 -0.458 . . . . 25.0 110.262 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 22.7 ttt -58.16 -51.34 70.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.995 0.426 . . . . 25.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.62 -43.88 88.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.406 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.08 -43.03 95.77 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.525 -0.47 . . . . 25.0 110.218 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -64.56 -39.73 94.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.161 -0.337 . . . . 25.0 111.034 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.87 -45.12 90.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -82.15 -29.76 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -175.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -20.34 62.55 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.427 0.558 . . . . 25.0 110.417 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -88.42 76.63 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.303 1.049 . . . . 25.0 109.377 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 68.2 mtp . . . . . 0 C--O 1.213 -0.836 0 CA-C-O 125.23 2.443 . . . . 25.0 112.623 -175.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.502 2.155 0 CA-C-O 125.699 2.666 . . . . 25.0 114.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -166.54 167.66 39.64 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 108.072 -2.011 . . . . 25.0 108.072 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.79 -47.49 53.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.877 0.839 . . . . 25.0 111.719 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 23.2 t -164.6 131.3 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.44 0.162 . . . . 25.0 111.227 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -143.81 151.76 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 106.215 -1.772 . . . . 25.0 106.215 172.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.82 43.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.345 -0.222 . . . . 25.0 110.897 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.2 tp10 72.0 135.59 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.391 1.476 . . . . 25.0 111.446 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 38.7 t -138.39 150.61 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.89 -0.506 . . . . 25.0 110.211 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 69.7 t80 -125.29 -3.14 7.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.303 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.87 139.59 57.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 97.08 64.59 0.91 Allowed Glycine 0 CA--C 1.521 0.416 0 CA-C-O 122.224 0.902 . . . . 25.0 110.952 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -32.08 70.56 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.832 -0.805 . . . . 25.0 109.918 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -127.03 169.29 13.52 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.535 -1.654 . . . . 25.0 106.535 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -80.24 157.92 26.35 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.284 0.365 . . . . 25.0 111.347 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 64.72 -179.64 0.18 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.656 1.183 . . . . 25.0 112.693 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 124.696 2.189 . . . . 25.0 111.198 -177.004 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.504 2.227 0 N-CA-C 116.22 1.933 . . . . 25.0 116.22 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -52.81 -55.09 25.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.473 1.109 . . . . 25.0 112.78 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 3.3 m -65.48 -28.09 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.94 -43.02 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.24 -37.53 85.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.639 -0.255 . . . . 25.0 110.503 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.69 -45.05 86.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.21 -0.196 . . . . 25.0 110.537 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -65.04 -43.92 90.78 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.816 -0.353 . . . . 25.0 111.517 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.15 -44.73 99.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -58.83 -43.15 90.62 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.127 -0.358 . . . . 25.0 110.74 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.2 -40.32 94.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.638 0.256 . . . . 25.0 110.734 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.03 -41.84 98.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 25.0 110.078 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.25 -41.65 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.947 -0.47 . . . . 25.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -61.44 -28.54 69.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.904 0.335 . . . . 25.0 111.904 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -95.24 -20.74 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 97.3 p -68.56 -25.95 65.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.638 0.977 . . . . 25.0 113.638 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.04 48.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.389 0.614 . . . . 25.0 110.562 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.69 170.5 8.13 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.402 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.57 -35.27 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.361 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.18 -39.94 64.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.915 0.886 . . . . 25.0 112.173 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -173.54 130.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.14 111.05 22.57 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.357 0.599 . . . . 25.0 109.801 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -105.07 84.79 2.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.31 -47.03 78.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.872 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -70.78 -33.67 70.99 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -59.54 -38.84 82.12 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.52 -44.31 94.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.64 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.51 -47.39 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.391 -0.225 . . . . 25.0 110.391 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.17 -44.2 97.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.192 0.52 . . . . 25.0 111.159 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.59 99.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 25.0 110.489 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.13 -36.12 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.435 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -36.72 61.82 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -176.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -68.15 -34.43 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 118.483 -1.287 . . . . 25.0 107.692 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.8 -31.58 72.62 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.029 0.442 . . . . 25.0 110.758 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.61 69.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.5 -0.318 . . . . 25.0 110.436 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 m -84.01 -21.21 31.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.99 143.05 50.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -79.3 68.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.631 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.27 118.28 23.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 82.3 p -80.41 165.63 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.794 0.331 . . . . 25.0 110.251 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -60.74 -32.17 71.47 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 122.09 -0.381 . . . . 25.0 111.83 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.47 -35.88 80.05 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.771 -0.58 . . . . 25.0 110.494 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -69.37 -37.67 77.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.41 93.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.264 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -63.98 -42.13 97.32 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -66.9 -36.06 81.42 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.494 0.664 . . . . 25.0 110.902 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -104.16 45.37 0.96 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.656 -0.702 . . . . 25.0 109.477 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 93.6 m -67.58 -27.04 66.6 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.87 -29.02 69.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.12 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.5 ttp -69.88 -28.82 65.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.49 -38.53 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.1 m -62.31 -41.61 98.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.3 m -61.28 -46.16 91.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 119.279 -0.391 . . . . 25.0 111.626 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.25 -39.08 81.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.321 0.581 . . . . 25.0 110.129 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.531 . . . . 25.0 111.005 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -63.56 -37.65 88.14 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.356 . . . . 25.0 111.96 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 1.6 mt -61.07 -15.4 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 114.131 1.159 . . . . 25.0 114.131 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -60.02 -11.87 6.8 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.85 -1.156 . . . . 25.0 113.649 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -81.07 -22.23 39.4 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 122.063 -0.398 . . . . 25.0 111.12 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -75.84 89.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -98.25 4.27 48.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.121 0.486 . . . . 25.0 110.621 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.41 -29.69 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.179 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -147.05 120.11 8.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.039 0.447 . . . . 25.0 110.202 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -70.05 -26.67 64.13 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.823 1.416 . . . . 25.0 114.823 -174.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.07 -32.95 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.423 0.63 . . . . 25.0 111.195 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.14 -40.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 121.892 -0.505 . . . . 25.0 110.62 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 ptp -71.01 -30.8 67.13 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 119.234 -0.987 . . . . 25.0 110.326 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.13 -46.46 77.43 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.942 0.401 . . . . 25.0 110.535 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -64.67 -45.59 86.08 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.014 -0.429 . . . . 25.0 110.594 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 57.2 p -68.52 -35.23 77.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 5.6 t -72.97 -31.97 64.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.99 0.814 . . . . 25.0 110.181 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -65.69 -42.59 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.13 -43.36 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.315 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -55.48 -40.73 72.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.935 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -71.28 -31.67 67.75 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.82 -38.0 82.7 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.647 -0.658 . . . . 25.0 110.19 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -85.26 10.51 12.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -76.87 39.91 0.23 Allowed 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 -177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 55.79 45.31 24.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.499 1.12 . . . . 25.0 112.76 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 119.031 2.975 . . . . 25.0 119.031 173.353 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 124.222 1.963 . . . . 25.0 114.669 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -157.96 34.97 0.53 Allowed Glycine 0 C--N 1.347 1.156 0 O-C-N 120.175 -1.578 . . . . 25.0 112.042 -179.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -102.29 166.56 10.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.609 0.242 . . . . 25.0 110.88 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 49.6 m -79.72 143.99 34.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.992 0.368 . . . . 25.0 111.992 -178.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -134.76 139.03 44.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 -177.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 13.3 t -157.35 146.65 20.09 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 121.232 0.539 . . . . 25.0 112.336 178.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -121.61 19.7 11.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 38.0 p -57.5 -43.3 84.06 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.719 1.378 . . . . 25.0 114.719 -170.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -166.13 117.28 1.02 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 105.507 -2.034 . . . . 25.0 105.507 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.39 -19.69 1.08 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 175.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -136.21 146.75 18.74 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.014 -1.635 . . . . 25.0 109.014 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -28.24 36.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.509 0.671 . . . . 25.0 111.591 -178.005 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.45 -32.13 42.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.465 -1.243 . . . . 25.0 109.141 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.62 -37.88 77.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 122.419 1.104 . . . . 25.0 110.051 176.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -74.65 91.46 2.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.69 -1.141 . . . . 25.0 110.008 -179.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 125.0 2.333 . . . . 25.0 115.079 176.775 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.6 tpt . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.51 -41.83 66.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.778 1.231 . . . . 25.0 110.909 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 5.6 m -65.09 -29.82 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -77.61 -40.48 41.86 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 177.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 178.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -60.43 -43.39 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.005 0.366 . . . . 25.0 111.181 173.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -39.71 95.11 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.905 -0.318 . . . . 25.0 111.158 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.14 -43.33 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -58.85 -42.88 90.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.009 -0.432 . . . . 25.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.71 96.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.01 -41.69 99.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.59 -44.4 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.845 -0.535 . . . . 25.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -62.75 -34.08 76.48 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.43 -0.508 . . . . 25.0 112.146 179.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -88.41 -11.12 46.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.689 0.625 . . . . 25.0 112.689 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 89.4 p -77.51 -30.74 53.12 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.53 -0.732 . . . . 25.0 111.198 -178.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.71 63.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -111.38 152.79 26.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.12 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 -174.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.54 -32.88 73.9 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -172.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -161.12 94.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.06 117.99 22.67 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.79 -0.764 . . . . 25.0 112.265 -175.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -100.81 83.0 2.48 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.503 -175.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 97.5 t -53.29 -46.54 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 25.0 112.707 -177.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -68.77 -36.43 78.32 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.452 HH21 ' CD ' ' B' ' 375' ' ' GLU . 2.1 mmp_? -63.07 -32.33 73.68 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.554 -0.458 . . . . 25.0 110.616 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.7 -47.06 82.67 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.805 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.43 -44.84 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' B' ' 372' ' ' ARG . 47.8 mt-10 -61.67 -44.67 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.504 0.193 . . . . 25.0 111.483 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.052 -0.405 . . . . 25.0 111.006 -178.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.14 -41.17 90.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 178.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -69.86 -33.66 72.56 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.56 -46.53 89.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.271 -1.011 . . . . 25.0 108.271 174.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -30.89 69.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 25.0 111.043 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.89 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 177.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 17.4 m -80.27 -24.34 40.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -177.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.15 110.51 16.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.275 0.56 . . . . 25.0 111.532 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -79.32 74.99 5.91 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 174.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.33 156.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 55.1 p -77.1 161.25 28.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.083 0.468 . . . . 25.0 110.685 -177.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -65.66 -29.43 69.99 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.831 -0.543 . . . . 25.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 8.1 pm0 -71.96 -25.34 61.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.926 -0.484 . . . . 25.0 111.236 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.11 -33.78 63.7 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.262 -0.899 . . . . 25.0 108.987 175.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.61 78.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 175.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.68 -36.79 84.67 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.272 0.558 . . . . 25.0 110.96 178.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.91 -28.63 68.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.031 0.443 . . . . 25.0 111.299 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -116.34 47.89 1.35 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 25.0 110.89 -177.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 54.0 m -67.74 -26.18 66.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 176.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -59.81 -39.58 85.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 25.0 110.216 175.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 63.1 ttp -64.61 -27.53 69.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.951 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.33 -35.79 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.9 m -65.93 -39.67 90.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 173.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 26.5 m -59.07 -46.39 88.39 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.322 -0.236 . . . . 25.0 110.955 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 77.5 mt -59.93 -38.57 82.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.296 0.57 . . . . 25.0 110.966 176.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -33.03 74.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.847 -178.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -67.0 -42.12 85.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.908 0.322 . . . . 25.0 111.196 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 27.3 mt -61.78 -16.4 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -172.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -58.84 -13.84 7.28 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.777 -1.202 . . . . 25.0 113.094 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -12.06 46.15 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -74.55 75.98 1.97 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.302 1.049 . . . . 25.0 110.037 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -85.07 0.71 50.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.146 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.85 -21.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 123.758 0.661 . . . . 25.0 109.854 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.5 t -140.02 120.2 13.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 172.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . 0.435 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 7.0 mp0 -66.21 -31.58 72.5 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.068 -0.253 . . . . 25.0 111.048 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.92 -36.97 78.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.316 0.579 . . . . 25.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.26 -46.12 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.985 -1.072 . . . . 25.0 109.788 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 29.0 ptm -69.64 -30.79 68.58 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 119.092 -1.043 . . . . 25.0 111.665 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.78 -39.86 66.4 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.3 -0.875 . . . . 25.0 111.318 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.78 -44.63 73.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.901 -0.499 . . . . 25.0 109.992 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 33.1 p -62.67 -37.15 85.28 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.088 -0.645 . . . . 25.0 110.4 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -66.66 -40.08 88.46 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.991 -0.443 . . . . 25.0 110.923 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.96 -43.23 99.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.01 0.433 . . . . 25.0 110.807 177.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.46 -38.2 83.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.84 -36.05 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.95 -34.64 68.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.204 0.601 . . . . 25.0 112.074 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -107.57 16.97 23.24 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -80.34 41.46 0.54 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -178.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 41.4 t30 56.5 57.18 5.03 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 122.779 1.276 . . . . 25.0 111.63 -177.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.918 0 CA-C-O 123.901 1.81 . . . . 25.0 114.791 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 124.328 2.013 . . . . 25.0 115.277 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 177.15 175.66 44.62 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 108.88 -1.688 . . . . 25.0 108.88 -178.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.94 149.8 47.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.2 0.5 . . . . 25.0 109.963 179.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 67.9 m -145.13 138.74 26.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 25.0 111.655 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -77.74 147.16 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.699 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 59.5 p -134.83 152.49 51.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 175.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -106.5 24.5 12.49 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.912 0.485 . . . . 25.0 110.543 -177.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 19.5 t -33.36 91.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 118.813 2.894 . . . . 25.0 118.813 -168.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . 0.425 ' HE2' HD13 ' B' ' 363' ' ' LEU . 26.8 t80 -77.24 -6.37 52.84 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.914 0.864 . . . . 25.0 110.722 173.26 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.06 75.23 2.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.338 -0.846 . . . . 25.0 108.983 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 136.03 87.59 0.23 Allowed Glycine 0 C--O 1.219 -0.838 0 N-CA-C 110.488 -1.045 . . . . 25.0 110.488 -174.313 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.38 123.57 17.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 25.0 111.222 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -122.95 178.85 4.87 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 176.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -119.19 172.59 7.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 178.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 70.87 -21.26 0.2 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.551 1.686 . . . . 25.0 115.551 -178.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.412 0 CA-C-O 125.394 2.521 . . . . 25.0 113.052 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . 0.472 ' HB3' HE22 ' B' ' 389' ' ' GLN . 0.0 OUTLIER -63.36 -28.85 70.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 120.839 -1.163 . . . . 25.0 112.111 -177.43 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -30.24 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -73.22 -38.35 66.08 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.25 -36.42 84.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.447 -0.158 . . . . 25.0 110.689 178.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.45 -42.97 99.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.711 -0.478 . . . . 25.0 109.711 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.23 -40.63 86.38 Favored 'General case' 0 C--O 1.209 -1.039 0 C-N-CA 121.063 -0.255 . . . . 25.0 111.47 178.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.1 -43.99 98.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.556 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 177.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.63 -41.06 94.11 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.635 -0.666 . . . . 25.0 111.379 178.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.12 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.64 -35.55 80.89 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.827 0.451 . . . . 25.0 111.221 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.29 -44.85 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 176.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -63.85 -30.66 71.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.338 -0.851 . . . . 25.0 110.354 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.35 -12.16 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 96.6 p -94.0 -22.39 18.58 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.429 1.27 . . . . 25.0 114.429 -177.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.431 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 1.3 mp -115.48 23.06 12.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.783 0.801 . . . . 25.0 110.558 -179.718 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -81.0 157.88 25.35 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.671 -0.695 . . . . 25.0 109.603 175.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 49.2 pt -69.89 -21.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.43 -37.49 56.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.987 1.106 . . . . 25.0 113.987 -172.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.83 72.16 0.77 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.306 -1.368 . . . . 25.0 107.306 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 0.4 OUTLIER -72.36 128.9 37.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 25.0 109.832 -177.6 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -136.8 110.22 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 25.0 110.381 -179.184 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.38 -44.8 97.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.439 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.124 -0.36 . . . . 25.0 111.237 -176.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -57.07 -39.32 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.078 0.466 . . . . 25.0 110.619 178.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.92 -43.33 88.44 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.356 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.72 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.76 -39.38 87.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.61 0.226 . . . . 25.0 111.61 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.76 90.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.636 0.731 . . . . 25.0 110.081 177.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.51 -33.03 72.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.879 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.11 -32.49 63.22 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.071 -0.393 . . . . 25.0 112.006 -178.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.24 -40.76 95.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.853 0.835 . . . . 25.0 108.964 172.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -27.68 66.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 25.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.03 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.271 -0.268 . . . . 25.0 110.601 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 47.1 t -81.65 -32.79 31.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 25.0 111.235 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.4 135.2 52.81 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -81.85 72.55 8.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.456 -0.793 . . . . 25.0 110.612 177.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.38 119.85 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 80.9 p -74.24 162.88 28.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 23.2 ptp -63.31 -30.14 71.33 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.561 -0.455 . . . . 25.0 111.201 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.44 -35.26 75.5 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 121.234 0.54 . . . . 25.0 110.548 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' B' ' 349' ' ' ASP . 13.6 mm100 -70.75 -36.3 73.05 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.473 -0.767 . . . . 25.0 109.592 177.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.9 90.01 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 176.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.59 -38.48 91.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.293 0.568 . . . . 25.0 110.96 177.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.16 -36.01 64.07 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.302 0.573 . . . . 25.0 111.59 179.091 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -109.72 44.91 1.13 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.095 0.474 . . . . 25.0 110.589 -175.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 32.8 m -69.5 -21.57 63.67 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -177.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.18 -31.73 73.03 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.368 0.604 . . . . 25.0 111.998 175.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -69.73 -34.26 73.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 175.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 39.3 mm -68.37 -31.93 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 28.2 m -63.38 -47.0 83.86 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.736 -0.602 . . . . 25.0 109.608 174.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 28.4 m -63.56 -40.97 98.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.812 0.339 . . . . 25.0 110.948 177.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.48 -36.09 75.35 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.718 0.807 . . . . 25.0 111.442 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -63.6 -38.62 91.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.921 176.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.77 -31.98 65.28 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -174.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.431 ' H ' HG13 ' B' ' 403' ' ' ILE . 0.9 OUTLIER -61.11 -19.32 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-O 121.359 0.599 . . . . 25.0 112.169 -177.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -68.32 -11.12 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.632 -0.667 . . . . 25.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -83.53 -5.84 59.28 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.369 -0.207 . . . . 25.0 111.241 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.04 68.82 4.16 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.704 0.764 . . . . 25.0 108.976 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.04 -18.97 60.67 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -169.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.92 -16.12 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.203 0.446 . . . . 25.0 112.203 -177.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 21.5 m -129.09 116.52 19.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 122.042 0.925 . . . . 25.0 112.705 176.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.38 -36.81 68.8 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.364 -0.834 . . . . 25.0 112.584 -178.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.73 -37.7 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.609 -0.682 . . . . 25.0 110.897 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.66 -46.55 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.115 -0.366 . . . . 25.0 110.727 178.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.98 -30.05 68.39 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 119.753 -0.779 . . . . 25.0 110.499 -178.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.43 -49.86 56.86 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.021 -0.272 . . . . 25.0 111.161 176.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -61.05 -42.96 99.47 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.141 0.496 . . . . 25.0 110.433 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 25.0 p -69.17 -34.71 75.36 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.424 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.3 m -67.67 -40.14 84.48 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.604 -0.685 . . . . 25.0 110.238 176.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.7 ttp -59.97 -44.36 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.57 -38.88 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.811 0.338 . . . . 25.0 111.171 177.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.2 -39.57 87.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.52 -34.76 70.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.126 0.489 . . . . 25.0 111.806 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.25 -32.6 73.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.706 0.403 . . . . 25.0 110.878 178.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.42 21.05 17.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -72.33 39.99 0.08 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.73 56.18 8.23 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.695 1.236 . . . . 25.0 112.594 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.211 -0.942 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 123.638 1.685 . . . . 25.0 115.074 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 120.48 0.25 12.48 Favored Glycine 0 C--N 1.354 1.567 0 O-C-N 120.57 -1.331 . . . . 25.0 114.846 176.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -85.95 18.6 2.92 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 16.2 m -101.57 156.49 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -138.9 169.73 17.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 44.0 p -132.5 103.39 6.14 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -176.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -86.4 69.55 10.42 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.716 -0.615 . . . . 25.0 112.355 176.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 14.7 m 61.52 177.94 0.12 Allowed 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 116.485 2.031 . . . . 25.0 116.485 175.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 6.4 t80 58.45 65.89 1.18 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.793 1.775 . . . . 25.0 115.793 177.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.78 126.07 51.75 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 88.11 14.04 63.1 Favored Glycine 0 CA--C 1.51 -0.27 0 C-N-CA 120.572 -0.823 . . . . 25.0 111.71 -177.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.7 -160.14 0.27 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.088 0.555 . . . . 25.0 109.875 -176.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -139.89 144.28 37.11 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.335 -1.728 . . . . 25.0 106.335 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.4 tt0 57.24 43.09 24.28 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 122.012 0.91 . . . . 25.0 111.02 176.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -72.74 151.28 42.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.247 -0.888 . . . . 25.0 109.255 178.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 124.722 2.201 . . . . 25.0 112.724 178.496 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.73 -51.54 68.44 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 120.753 -1.217 . . . . 25.0 111.076 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -64.96 -27.95 69.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.936 0.398 . . . . 25.0 111.937 -178.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.07 -45.39 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -41.54 87.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 25.0 109.993 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.29 -38.57 89.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.386 -0.196 . . . . 25.0 111.116 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -62.93 -41.96 99.64 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.263 -0.273 . . . . 25.0 111.095 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.98 -44.78 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . 0.444 ' HD2' HG21 ' B' ' 399' ' ' THR . 62.5 m80 -65.44 -27.57 68.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.746 -0.596 . . . . 25.0 112.414 178.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.97 89.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.48 -36.27 78.72 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.63 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.061 -1.025 . . . . 25.0 110.472 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.644 -0.66 . . . . 25.0 110.594 176.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -69.16 -31.37 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.697 0.628 . . . . 25.0 112.697 178.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.1 p -81.96 -13.46 57.43 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -172.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.6 mt -120.82 25.72 9.52 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.732 0.696 . . . . 25.0 110.399 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -79.56 170.18 16.94 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.521 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.55 -33.4 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -40.1 87.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -172.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -168.44 137.5 2.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.364 -2.828 . . . . 25.0 103.364 178.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.11 143.83 46.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.782 0.719 . . . . 25.0 110.562 -176.552 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -124.15 103.05 8.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.126 0.965 . . . . 25.0 109.569 -172.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.11 -43.63 81.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.399 -1.273 . . . . 25.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.65 -39.49 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.24 -0.288 . . . . 25.0 111.441 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -60.25 -39.21 85.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.17 -42.77 99.45 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.487 -0.485 . . . . 25.0 110.552 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.15 -47.32 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.07 -42.92 99.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 25.0 110.9 -179.067 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -65.47 -38.14 88.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 25.0 111.204 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.81 -38.61 89.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 177.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -74.86 -26.95 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.68 -44.08 85.53 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 171.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -26.94 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.519 -0.764 . . . . 25.0 111.887 -178.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.54 69.56 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 176.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 32.4 t -79.29 -32.26 43.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.029 0.443 . . . . 25.0 110.157 -177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 69.7 mt -63.62 131.67 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.144 0.973 . . . . 25.0 111.307 178.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -83.16 71.2 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.864 -1.062 . . . . 25.0 109.479 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.04 123.17 30.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 43.9 p -78.67 163.73 25.2 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -178.009 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.4 ptp -62.32 -31.42 72.03 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.845 -0.534 . . . . 25.0 112.097 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -70.49 -37.71 74.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.285 0.564 . . . . 25.0 109.928 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -69.83 -38.31 76.5 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.99 90.32 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.07 -0.394 . . . . 25.0 110.287 177.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -64.17 -42.72 96.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 25.0 110.64 177.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -66.97 -35.94 81.08 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.471 0.653 . . . . 25.0 109.802 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.15 54.99 1.26 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.89 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 91.1 m -66.65 -20.42 65.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.8 -35.75 71.25 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.64 172.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 29.5 ttp -66.7 -39.64 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.859 -0.525 . . . . 25.0 109.797 177.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.01 -42.71 97.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 29.7 m -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.127 177.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . 0.444 HG21 ' HD2' ' B' ' 356' ' ' HIS . 33.7 m -65.1 -45.1 86.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.205 -0.309 . . . . 25.0 111.222 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.0 -36.41 81.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 25.0 110.963 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -58.7 -38.35 78.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 25.0 111.491 177.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.01 -46.44 74.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.932 0.396 . . . . 25.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.8 -18.07 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 25.0 112.065 -173.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.03 -10.99 11.44 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.223 -0.923 . . . . 25.0 112.964 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.97 -20.26 42.3 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 122.23 -0.294 . . . . 25.0 111.462 174.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -78.37 101.74 7.38 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -105.54 -7.78 18.41 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -179.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -12.04 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -176.411 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.1 m -142.12 120.0 11.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 167.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.63 -30.91 71.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.435 0.636 . . . . 25.0 110.819 -177.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.47 -40.45 84.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.716 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.06 -47.24 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 O-C-N 122.031 -0.418 . . . . 25.0 111.669 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.3 ptm -65.9 -30.07 70.6 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -78.96 -39.73 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 177.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.7 -44.53 96.01 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.264 -0.897 . . . . 25.0 108.754 175.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.1 p -65.29 -37.05 85.96 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.451 -0.5 . . . . 25.0 111.982 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 1.2 t -73.94 -30.86 62.77 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.891 0.768 . . . . 25.0 111.194 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 66.9 ttp -64.35 -45.47 87.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 176.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.59 -40.41 95.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.676 0.274 . . . . 25.0 110.691 177.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -58.0 -44.56 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.86 -35.35 74.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 178.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -60.16 -30.9 69.63 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.151 0.58 . . . . 25.0 111.522 179.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -106.96 7.47 29.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -78.86 39.95 0.38 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.566 0.747 . . . . 25.0 112.811 -178.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -42.01 97.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.242 1.02 . . . . 25.0 109.038 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 124.576 2.131 . . . . 25.0 112.837 177.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.502 2.17 0 CA-C-O 123.576 1.655 . . . . 25.0 114.98 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -106.96 16.75 39.09 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.181 -1.574 . . . . 25.0 113.851 -176.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.24 119.46 10.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.109 0.481 . . . . 25.0 110.22 -178.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 56.3 p -164.65 167.59 18.99 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -69.77 94.37 0.81 Allowed 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.436 0.636 . . . . 25.0 111.365 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 25.1 m -130.98 92.27 3.19 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -174.028 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.11 6.7 7.45 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.143 0.497 . . . . 25.0 111.242 174.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 19.2 m 57.32 -154.01 0.36 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.863 0.865 . . . . 25.0 113.285 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 2.6 t80 -138.15 107.81 6.24 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 -176.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -144.56 84.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.38 17.66 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 121.036 -0.602 . . . . 25.0 112.361 -178.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.36 144.69 21.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.754 -1.573 . . . . 25.0 106.754 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 55.52 32.34 18.86 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.376 1.047 . . . . 25.0 110.292 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -82.67 153.9 25.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.002 -0.999 . . . . 25.0 110.188 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -84.09 77.9 9.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 176.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 19.5 t0 . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 123.911 1.815 . . . . 25.0 113.447 -175.692 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 115.973 1.842 . . . . 25.0 115.973 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.15 -34.92 77.29 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 120.606 -1.309 . . . . 25.0 112.469 -176.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -59.38 -31.1 68.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.871 -0.518 . . . . 25.0 112.134 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.24 60.4 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.29 -41.25 81.26 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -176.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.86 -32.45 73.72 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.425 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -62.76 -43.13 99.6 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 177.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -44.76 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.288 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -59.23 -40.85 87.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.342 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.78 90.59 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.36 -0.213 . . . . 25.0 111.167 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -66.9 -40.1 87.63 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.74 -0.384 . . . . 25.0 109.982 178.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.97 -39.25 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.694 -0.629 . . . . 25.0 110.93 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -65.59 -19.63 65.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -98.99 -35.78 9.94 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.281 0.562 . . . . 25.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 81.1 p -75.78 6.15 5.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 116.449 2.018 . . . . 25.0 116.449 -173.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.4 mt -137.24 21.34 2.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.372 0.606 . . . . 25.0 110.565 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.13 163.87 27.16 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 18.5 tt -71.75 -36.7 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -175.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.73 -44.93 15.05 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -171.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -166.78 144.87 5.12 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 105.217 -2.142 . . . . 25.0 105.217 175.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 152.72 39.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.75 92.87 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 25.0 109.851 175.443 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.68 -47.3 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 120.937 0.398 . . . . 25.0 112.053 -176.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -67.15 -36.81 82.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -174.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -63.23 -30.57 71.69 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.375 -0.53 . . . . 25.0 111.097 -177.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 3.8 t -65.98 -41.06 91.62 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.402 176.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.1 -40.83 90.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.94 -44.13 73.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 25.0 111.225 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.8 87.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.159 0.504 . . . . 25.0 111.096 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.34 -31.13 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.204 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.6 0.714 . . . . 25.0 110.389 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.5 -39.14 92.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.693 . . . . 25.0 109.619 178.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -36.63 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.405 . . . . 25.0 110.511 179.192 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.36 67.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.537 -0.301 . . . . 25.0 111.315 -179.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 33.3 m -84.05 -13.85 52.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.16 141.76 33.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.701 . . . . 25.0 112.492 -178.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.19 63.43 5.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.341 -0.845 . . . . 25.0 110.763 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.11 112.52 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 81.5 p -70.96 158.08 37.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 25.0 109.733 -177.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -33.84 72.02 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.514 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -67.14 -37.71 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.415 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -67.36 -42.93 82.66 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 178.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.15 85.24 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.689 0.28 . . . . 25.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -40.93 98.86 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.798 178.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -78.97 -32.62 45.39 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.152 0.501 . . . . 25.0 111.793 -178.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -89.35 48.74 1.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 25.0 110.241 -176.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.2 m -62.4 -24.49 67.42 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.192 0.996 . . . . 25.0 111.489 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -43.02 99.44 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.636 177.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 65.1 ttp -65.35 -34.26 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.718 -0.614 . . . . 25.0 110.451 177.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.14 -38.22 81.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.7 m -67.64 -39.84 84.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.403 177.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.1 m -60.47 -49.08 79.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.066 -0.397 . . . . 25.0 110.485 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.04 -37.22 79.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.229 0.538 . . . . 25.0 110.951 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.63 -37.14 85.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 25.0 111.527 177.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -68.35 -39.13 81.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -178.165 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.83 -18.09 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -171.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -53.67 -19.79 4.5 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -84.13 -9.38 58.63 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.26 85.22 1.41 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -176.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -74.41 -11.65 60.3 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.561 1.319 . . . . 25.0 114.561 -176.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.36 -31.27 52.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.92 -0.488 . . . . 25.0 110.979 -176.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 42.4 t -145.45 120.11 9.82 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.091 0.472 . . . . 25.0 109.829 174.165 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.38 -32.24 71.14 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.509 -178.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.3 -37.68 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.706 0.765 . . . . 25.0 110.805 -178.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.63 -46.43 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.7 ptp -69.28 -30.95 69.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.619 -0.832 . . . . 25.0 110.704 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.9 -48.72 70.52 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.2 -0.312 . . . . 25.0 110.622 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.09 -35.18 79.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.791 178.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.2 m -65.34 -41.49 93.85 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.639 178.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 60.6 m -68.38 -38.97 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 67.6 ttp -59.07 -48.49 81.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 177.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.34 -44.25 92.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.801 0.334 . . . . 25.0 111.353 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.35 -45.05 84.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.747 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 -33.42 69.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.807 0.299 . . . . 25.0 111.807 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.26 97.11 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 178.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -77.22 -19.48 56.61 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.578 0.585 . . . . 25.0 112.578 -179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -72.47 -21.93 61.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.885 0.328 . . . . 25.0 111.885 176.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -81.48 66.27 6.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.227 1.013 . . . . 25.0 111.674 -177.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 C--O 1.213 -0.826 0 CA-C-O 125.271 2.462 . . . . 25.0 112.349 -178.447 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.507 2.399 0 CA-C-O 124.025 1.869 . . . . 25.0 115.596 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -173.33 176.62 45.98 Favored Glycine 0 C--N 1.343 0.935 0 O-C-N 120.117 -1.615 . . . . 25.0 110.298 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -148.56 163.33 37.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 -177.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 17.6 t -159.01 162.06 36.7 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 -179.189 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -156.26 -160.47 1.0 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 106.039 -1.838 . . . . 25.0 106.039 -179.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 29.3 p 62.05 2.26 0.78 Allowed 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 116.251 1.945 . . . . 25.0 116.251 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -64.45 132.59 50.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.312 0.577 . . . . 25.0 110.016 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 49.5 m -139.37 171.89 13.62 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -170.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 6.1 t80 -82.72 118.53 23.42 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 175.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -114.96 -29.62 6.64 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -152.11 178.01 29.59 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.41 -0.9 . . . . 25.0 113.318 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.67 137.25 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.51 -0.345 . . . . 25.0 110.587 -178.451 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 56.91 28.46 14.65 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 173.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -66.28 -15.15 62.99 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 60.44 16.59 6.49 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.96 2.314 . . . . 25.0 112.96 175.882 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 11.7 ttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.47 -42.38 74.26 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.692 1.197 . . . . 25.0 109.933 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.5 m -66.5 -35.11 79.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 25.0 112.181 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.67 -43.71 71.97 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.94 -40.46 96.5 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.7 179.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.554 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.0 tpt85 -68.86 -43.46 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.45 -42.96 94.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -57.01 -45.08 83.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.583 0.353 . . . . 25.0 110.953 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.42 95.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.623 0.249 . . . . 25.0 110.447 178.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.82 -43.09 99.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.587 -0.279 . . . . 25.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.85 -43.07 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.983 -0.448 . . . . 25.0 110.061 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.96 -21.72 66.29 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -101.48 -11.79 19.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.419 0.526 . . . . 25.0 112.419 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 90.9 p -78.54 -24.14 45.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 19.7 mt -124.56 58.66 1.21 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.765 0.317 . . . . 25.0 111.703 -178.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -102.54 159.92 15.02 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 176.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.36 -17.32 20.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.223 176.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.76 -40.0 34.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.487 0.66 . . . . 25.0 110.343 178.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -155.96 125.5 6.32 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 177.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.91 111.23 19.35 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 -179.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.91 94.5 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.66 -47.86 72.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.689 -177.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -64.26 -37.7 88.43 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 112.751 0.649 . . . . 25.0 112.751 -178.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -60.12 -39.42 86.19 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 122.104 -0.372 . . . . 25.0 110.279 -177.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.52 -41.3 93.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.035 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.76 -48.36 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.63 -42.06 99.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 25.0 110.49 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.63 96.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.82 0.343 . . . . 25.0 111.012 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.5 mt -67.54 -38.37 84.08 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 122.111 -0.368 . . . . 25.0 110.539 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -74.63 -28.11 60.74 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.817 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.6 -46.36 90.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 171.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.23 -37.55 87.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.395 -0.82 . . . . 25.0 110.708 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.37 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -178.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 43.7 m -83.88 -19.25 35.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.524 0.515 . . . . 25.0 111.498 -177.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 78.5 mt -77.4 139.92 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.575 0.702 . . . . 25.0 111.404 178.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -82.64 75.18 9.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 174.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.01 109.22 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 68.8 p -71.0 163.53 27.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.298 0.571 . . . . 25.0 111.052 -177.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 27.2 ptm -57.36 -35.35 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.86 -28.99 63.9 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.811 -0.556 . . . . 25.0 111.457 -179.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -74.06 -41.94 60.96 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 178.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.06 89.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.932 -0.395 . . . . 25.0 109.932 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.8 -45.69 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.202 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -72.28 -36.04 68.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.181 0.515 . . . . 25.0 111.873 -177.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -98.74 57.03 1.12 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -27.39 67.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.181 0.991 . . . . 25.0 109.801 -177.158 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.59 -31.65 72.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.624 -1.171 . . . . 25.0 111.383 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 66.1 ttp -66.04 -34.39 77.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 176.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 19.3 mm -69.66 -38.42 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.9 m -62.86 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.213 -0.292 . . . . 25.0 110.213 175.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 91.1 m -61.21 -44.93 96.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.275 -0.265 . . . . 25.0 110.927 177.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.47 -37.47 78.28 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.096 0.474 . . . . 25.0 111.253 177.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -61.53 -32.97 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.39 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.72 -43.13 60.04 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -17.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -169.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -11.05 8.43 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -81.07 -11.54 59.48 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 176.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -70.42 75.65 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.87 -19.55 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.991 -0.443 . . . . 25.0 111.981 179.006 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.443 HG23 ' H ' ' B' ' 408' ' ' VAL . 0.2 OUTLIER -64.57 -18.75 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.67 0.619 . . . . 25.0 112.67 -177.258 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -144.49 119.98 10.35 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.407 -0.96 . . . . 25.0 108.407 171.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.28 -32.27 73.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.493 -0.776 . . . . 25.0 109.147 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.07 -44.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.621 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.34 -46.34 83.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 O-C-N 121.817 -0.552 . . . . 25.0 111.154 -178.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 26.5 ptm -68.06 -32.37 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.715 -0.794 . . . . 25.0 110.657 -178.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.16 -48.1 63.19 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.597 -0.689 . . . . 25.0 111.553 175.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -60.82 -43.53 98.1 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.173 -0.33 . . . . 25.0 110.46 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 45.5 p -68.26 -38.44 81.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.693 -0.403 . . . . 25.0 111.646 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.1 m -68.6 -39.9 80.69 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 122.117 -0.365 . . . . 25.0 110.154 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -61.1 -46.37 90.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.95 -44.08 90.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.669 0.271 . . . . 25.0 111.234 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.17 -43.5 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.201 -0.312 . . . . 25.0 111.766 -179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -60.5 -47.08 87.73 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.72 -37.25 73.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 178.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.94 -37.23 86.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.299 0.24 . . . . 25.0 111.118 179.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.12 -34.73 75.5 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 121.436 0.636 . . . . 25.0 110.136 178.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 56.0 ttp . . . . . 0 C--O 1.209 -1.027 0 CA-C-O 123.151 1.453 . . . . 25.0 114.383 -177.093 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 N--CA 1.499 2.007 0 CA-C-O 124.244 1.973 . . . . 25.0 114.387 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 84.97 -147.12 22.45 Favored Glycine 0 C--N 1.354 1.553 0 O-C-N 119.835 -1.791 . . . . 25.0 112.418 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.75 130.86 44.04 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 177.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 26.0 m -152.65 -60.08 0.15 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 52.99 23.87 3.13 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.86 21.83 6.48 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.978 0.911 . . . . 25.0 112.236 -176.223 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 66.66 -42.06 0.4 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.666 1.586 . . . . 25.0 114.343 -178.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 70.5 m -145.98 170.78 15.93 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 1.6 t80 -72.9 107.35 5.24 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -113.45 -15.76 12.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.82 -0.627 . . . . 25.0 109.793 173.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 179.44 161.59 27.11 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 110.339 -1.104 . . . . 25.0 110.339 175.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.62 140.23 37.19 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.253 -1.388 . . . . 25.0 107.253 174.115 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -125.55 125.56 43.4 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 104.128 -2.545 . . . . 25.0 104.128 173.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -114.52 -3.83 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -177.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . 56.62 34.18 24.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.622 1.569 . . . . 25.0 112.165 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.212 -0.873 0 CA-C-O 125.217 2.436 . . . . 25.0 111.379 178.402 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.88 -49.96 75.8 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.172 -0.955 . . . . 25.0 108.915 178.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 27.1 p -61.22 -29.52 69.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.144 -0.935 . . . . 25.0 112.867 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -73.12 -44.64 59.95 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.332 -0.855 . . . . 25.0 109.43 179.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 54.3 mt -62.0 -37.83 86.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.84 -41.61 99.4 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.207 -0.308 . . . . 25.0 111.346 174.163 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -65.06 -39.74 93.71 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 118.025 0.375 . . . . 25.0 111.772 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.66 -40.14 85.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -62.35 -36.58 82.68 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 111.643 177.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.97 90.48 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.255 -0.278 . . . . 25.0 110.452 177.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.96 -42.02 81.53 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.93 -0.396 . . . . 25.0 109.93 177.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.3 -38.99 77.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 25.0 110.855 179.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -65.91 -22.66 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.151 -0.968 . . . . 25.0 112.803 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -98.6 -15.24 19.55 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.1 p -84.58 -20.98 30.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -173.235 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.489 ' HA ' ' HG ' ' B' ' 368' ' ' LEU . 18.8 mt -116.94 32.99 5.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.079 0.466 . . . . 25.0 109.761 177.767 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -75.73 151.97 37.54 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.526 -0.734 . . . . 25.0 111.032 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 25.6 pt -72.02 -25.58 24.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.497 -0.319 . . . . 25.0 111.629 176.174 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.74 -31.63 52.28 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -161.27 95.63 1.04 Allowed 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -175.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' B' ' 363' ' ' LEU . 1.1 tt -97.01 113.14 24.65 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 112.94 0.719 . . . . 25.0 112.94 -175.188 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -109.39 96.2 6.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.278 -178.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.03 -48.0 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.393 -0.821 . . . . 25.0 111.505 -179.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.34 -30.46 64.76 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.768 -1.207 . . . . 25.0 114.039 -174.364 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -63.97 -33.98 76.95 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.578 177.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.8 t -68.12 -40.95 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.475 176.043 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.8 -43.67 97.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.06 -41.13 82.46 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.406 -0.517 . . . . 25.0 111.661 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.95 88.77 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.754 -0.591 . . . . 25.0 110.798 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 51.2 mt -72.5 -27.89 62.54 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.341 -0.39 . . . . 25.0 110.952 177.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -76.11 -43.62 42.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 110.965 -179.044 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.13 -24.27 61.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.09 -40.12 60.28 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 174.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.226 0.536 . . . . 25.0 111.942 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 67.7 m -81.88 -7.0 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.411 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.2 151.23 21.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.992 0.901 . . . . 25.0 111.512 178.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -98.07 130.17 44.88 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.592 -2.003 . . . . 25.0 105.592 171.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 60.9 t -129.59 128.39 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.761 -0.829 . . . . 25.0 108.761 -174.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 30.9 p -82.6 162.84 21.78 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -178.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 24.1 ptp -63.17 -28.98 70.42 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.771 -0.581 . . . . 25.0 111.446 178.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -69.23 -36.55 77.32 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.364 -0.535 . . . . 25.0 111.146 177.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.82 -36.13 64.94 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 178.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.07 83.77 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.81 -0.356 . . . . 25.0 110.055 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -64.22 -37.73 88.54 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.473 0.654 . . . . 25.0 111.374 176.14 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -65.68 -30.03 70.66 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.559 -0.713 . . . . 25.0 111.677 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -115.76 41.24 2.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.865 -175.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 85.4 m -63.98 -24.66 67.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.345 -0.847 . . . . 25.0 109.283 179.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.05 -43.31 81.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.491 1.139 . . . . 25.0 110.594 173.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 59.2 ttp -71.36 -35.49 71.16 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.823 -1.08 . . . . 25.0 110.894 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.08 -36.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 67.9 m -65.93 -42.91 89.48 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.086 0.469 . . . . 25.0 109.754 176.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.4 m -59.99 -44.51 94.46 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.046 -0.409 . . . . 25.0 110.972 174.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.48 -37.38 75.41 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.031 -0.418 . . . . 25.0 111.908 176.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -58.63 -35.54 72.67 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 178.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.49 -43.42 69.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 25.0 109.951 -178.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.59 -17.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.82 -173.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -57.06 -24.34 53.19 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.532 -0.73 . . . . 25.0 111.777 172.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -88.08 -9.03 54.6 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.172 0.805 . . . . 25.0 113.172 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -53.3 108.07 0.3 Allowed 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 177.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -87.77 -20.17 26.52 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -178.156 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.16 -28.75 33.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -169.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 16.0 m -142.92 126.7 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.371 -0.831 . . . . 25.0 112.54 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -64.58 -38.22 90.27 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 114.463 1.283 . . . . 25.0 114.463 -176.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.85 -36.49 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.376 -0.828 . . . . 25.0 109.564 -176.139 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 70.8 mt -66.87 -45.94 86.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-N 115.728 -0.669 . . . . 25.0 110.363 179.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -66.04 -38.17 87.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.329 0.968 . . . . 25.0 111.256 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -69.14 -47.36 65.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.358 . . . . 25.0 111.968 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.63 -35.38 78.82 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.204 -1.56 . . . . 25.0 111.475 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 87.7 p -68.24 -41.89 80.49 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.51 -0.876 . . . . 25.0 112.53 176.875 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 -27.99 63.59 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 119.614 -0.834 . . . . 25.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.1 ttp -62.57 -51.07 68.81 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.3 -39.37 78.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.393 -179.127 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -60.26 -40.94 92.12 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 122.076 -0.39 . . . . 25.0 110.735 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.16 -37.53 75.24 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.509 -0.476 . . . . 25.0 110.883 178.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -62.98 -37.88 88.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.866 0.365 . . . . 25.0 111.175 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.36 20.8 18.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -176.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -63.13 -17.49 62.4 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -177.231 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -88.01 102.11 14.42 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 171.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.1 mtm . . . . . 0 C--O 1.21 -1.015 0 C-N-CA 126.082 1.753 . . . . 25.0 115.585 -178.596 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.509 2.518 0 N-CA-C 117.411 2.375 . . . . 25.0 117.411 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -136.26 35.27 2.15 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 120.781 -1.199 . . . . 25.0 114.021 -175.197 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -113.37 137.88 50.87 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 122.101 -0.646 . . . . 25.0 110.793 -179.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 69.0 p -158.45 152.61 24.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 53.86 39.46 30.41 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.039 0.923 . . . . 25.0 111.416 -177.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 38.5 p -73.85 -22.02 59.91 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.409 -0.807 . . . . 25.0 112.414 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -88.33 27.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.455 0.645 . . . . 25.0 109.815 178.478 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 6.6 t -86.91 -165.14 1.2 Allowed 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.88 98.83 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.026 1.121 . . . . 25.0 114.026 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 1.3 t80 -135.99 -4.83 2.17 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 175.334 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -147.24 14.36 1.46 Allowed Glycine 0 C--O 1.229 -0.183 0 N-CA-C 114.881 0.713 . . . . 25.0 114.881 -179.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 57.57 37.49 27.58 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 122.234 1.016 . . . . 25.0 110.392 -174.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -61.57 153.09 28.64 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.867 -1.515 . . . . 25.0 113.366 -173.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.36 -2.48 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 170.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -99.08 152.04 20.28 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 123.947 1.832 . . . . 25.0 110.704 179.184 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.439 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -57.31 -43.12 83.01 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 114.587 -1.188 . . . . 25.0 111.242 175.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.7 p -61.26 -35.29 76.88 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.224 -0.444 . . . . 25.0 111.713 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -69.93 -40.47 75.49 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 122.237 -0.29 . . . . 25.0 110.277 178.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.82 -41.45 97.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.734 0.302 . . . . 25.0 111.028 179.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -68.58 -39.48 80.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.727 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -62.91 -44.6 95.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.771 -179.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.97 -44.38 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.817 -0.438 . . . . 25.0 109.817 -177.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -70.86 -26.26 63.18 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.067 -1.02 . . . . 25.0 112.771 179.234 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.05 89.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.52 -0.919 . . . . 25.0 108.52 174.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -66.5 -39.91 88.94 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.385 177.558 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 90.2 mt -61.18 -41.71 90.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.908 -0.495 . . . . 25.0 109.99 177.028 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.43 -38.37 80.48 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.125 -0.36 . . . . 25.0 110.61 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -85.52 -23.81 27.56 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -175.474 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 84.0 p -73.69 -20.98 60.39 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.049 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 49.5 mt -113.23 28.55 8.7 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -95.67 158.18 15.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.85 -0.613 . . . . 25.0 109.966 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 39.9 pt -66.74 -11.3 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 176.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -38.9 89.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -173.28 96.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -177.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.12 114.89 15.29 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -178.116 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -123.65 96.22 4.88 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.991 0.901 . . . . 25.0 110.478 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.04 -41.58 91.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.233 -178.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.25 -50.75 71.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.753 -178.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.86 -36.51 74.72 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -175.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.8 t -63.26 -41.45 99.05 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.871 178.232 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.28 -42.05 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.692 -0.63 . . . . 25.0 109.909 -178.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.79 -45.03 95.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.041 0.448 . . . . 25.0 110.099 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.33 93.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.616 0.722 . . . . 25.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.33 -36.82 85.2 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.786 -0.571 . . . . 25.0 111.047 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -71.19 -36.99 72.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.462 0.649 . . . . 25.0 110.839 -179.172 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.042 -0.411 . . . . 25.0 110.117 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.23 -28.96 62.46 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 121.096 -1.003 . . . . 25.0 110.958 178.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.01 65.1 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 122.11 -0.369 . . . . 25.0 111.001 177.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 56.1 m -84.21 -10.0 58.06 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 177.398 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 148.29 22.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 -176.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.63 83.64 7.83 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.941 178.087 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 56.3 t -81.5 114.4 22.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 52.3 p -83.14 166.87 18.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -177.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 92.4 mtp -55.77 -42.24 75.2 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.49 -40.54 80.88 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.396 -0.521 . . . . 25.0 111.163 -178.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.33 -38.33 90.72 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.163 -0.336 . . . . 25.0 110.136 178.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 120.821 0.343 . . . . 25.0 110.262 178.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -71.64 -34.41 69.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.0 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -70.49 -25.72 63.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.182 -0.324 . . . . 25.0 110.907 -179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.05 43.66 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -176.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.9 m -66.41 -19.92 65.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.699 1.238 . . . . 25.0 110.539 178.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -65.22 -38.37 90.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.425 -0.797 . . . . 25.0 110.477 174.308 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -72.29 -29.18 63.63 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 179.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 51.6 mm -69.85 -34.97 62.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 177.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 41.9 m -64.21 -40.16 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.349 0.595 . . . . 25.0 109.532 175.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.4 m -63.23 -44.33 95.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.83 175.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -36.42 75.23 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 121.902 0.858 . . . . 25.0 111.078 178.734 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.9 -26.87 65.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.056 -178.004 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.2 -35.49 73.96 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.76 -0.588 . . . . 25.0 111.266 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.43 ' H ' HG13 ' B' ' 403' ' ' ILE . 1.1 mt -62.03 -13.21 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 114.118 1.155 . . . . 25.0 114.118 -177.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -62.56 -13.91 36.38 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.923 -1.111 . . . . 25.0 111.737 178.067 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -89.0 -9.8 50.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.5 89.7 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.386 1.088 . . . . 25.0 110.667 -179.449 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -80.34 -16.44 54.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.003 0.921 . . . . 25.0 113.127 -175.038 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -24.33 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 -175.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -143.02 116.91 9.34 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.738 0.78 . . . . 25.0 110.184 176.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -69.48 -27.98 65.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.962 -178.417 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -39.14 81.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 -47.11 89.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.164 -0.615 . . . . 25.0 110.808 179.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.9 -29.81 67.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.073 -0.651 . . . . 25.0 110.684 -177.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -69.43 -45.94 67.95 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.07 -0.393 . . . . 25.0 110.339 176.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -61.05 -38.03 84.74 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.449 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -66.02 -41.82 90.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 25.0 110.701 179.061 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 83.0 m -67.56 -38.53 84.26 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.979 0.419 . . . . 25.0 110.545 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.31 -48.53 81.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.208 0.528 . . . . 25.0 110.724 176.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.43 -39.63 89.05 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.129 -0.357 . . . . 25.0 111.893 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.61 -40.69 97.55 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.962 -0.385 . . . . 25.0 109.962 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.55 -45.66 89.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.52 -40.08 85.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.493 0.663 . . . . 25.0 110.536 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 179.474 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -69.65 -2.73 12.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 114.322 1.231 . . . . 25.0 114.322 -176.147 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.19 -23.33 67.27 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 122.046 0.927 . . . . 25.0 109.734 174.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.21 -0.981 0 CA-C-O 122.653 1.216 . . . . 25.0 114.069 179.735 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 7.5 mp0 . . . . . 0 N--CA 1.507 2.395 0 N-CA-C 115.051 1.5 . . . . 25.0 115.051 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 79.53 19.45 71.2 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.435 -1.416 . . . . 25.0 115.13 175.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.56 63.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 8.0 t 54.29 26.96 7.36 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 177.191 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.4 -13.55 60.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.722 0.773 . . . . 25.0 111.857 -179.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 31.2 p -66.35 -5.61 11.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 179.327 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.34 -30.94 71.53 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 173.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.0 p 61.18 -171.12 0.15 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 118.096 2.628 . . . . 25.0 118.096 168.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 5.9 t80 -105.19 -37.12 7.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.907 -1.042 . . . . 25.0 112.207 -175.505 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -24.49 -91.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 117.463 2.394 . . . . 25.0 117.463 -160.045 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.27 52.41 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.596 -0.812 . . . . 25.0 112.796 -179.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 17.1 m-85 59.87 30.94 20.46 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.004 0.921 . . . . 25.0 111.675 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -118.48 138.12 52.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 101.126 -3.657 . . . . 25.0 101.126 168.367 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.58 35.4 20.86 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.303 1.049 . . . . 25.0 111.604 -173.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -151.48 81.44 1.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.748 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 124.319 2.009 . . . . 25.0 113.063 179.089 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.506 2.358 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -58.77 -34.86 71.9 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.117 -0.989 . . . . 25.0 111.612 -179.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 15.2 m -60.32 -32.77 71.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.11 69.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 176.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.35 -38.84 91.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.947 -177.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -62.85 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.341 -0.224 . . . . 25.0 110.847 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -63.31 -40.08 96.35 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.19 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.25 -42.41 84.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -60.75 -38.5 85.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.741 -0.6 . . . . 25.0 110.527 178.266 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.78 97.14 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.642 0.258 . . . . 25.0 110.582 177.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.95 -40.02 95.48 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 120.639 0.257 . . . . 25.0 110.532 178.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.91 -35.82 76.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.224 -0.923 . . . . 25.0 110.254 179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -71.65 -15.39 62.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.947 -0.47 . . . . 25.0 112.02 177.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -101.06 -34.99 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 78.0 p -76.38 -7.15 54.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 115.412 1.634 . . . . 25.0 115.412 -171.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.41 28.04 5.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.275 0.489 . . . . 25.0 111.649 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -69.56 169.29 12.93 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 60.4 mt -72.43 -49.55 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.134 -177.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.34 -39.88 81.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -172.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -159.68 143.43 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.865 -1.532 . . . . 25.0 106.865 179.225 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.96 155.52 42.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.525 0.148 . . . . 25.0 111.396 -176.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -129.6 114.19 15.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.09 0.948 . . . . 25.0 111.016 -178.131 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.43 -44.29 98.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.056 -0.974 . . . . 25.0 111.733 -177.085 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.28 -44.21 84.18 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.991 -0.443 . . . . 25.0 110.983 -174.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -62.69 -32.37 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.014 -178.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -67.46 -42.36 83.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.791 -0.568 . . . . 25.0 110.944 175.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.79 -43.86 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.12 -41.99 99.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.949 0.404 . . . . 25.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.43 91.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 25.0 110.007 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 55.1 mt -68.02 -36.19 79.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.129 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.5 -39.65 81.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.978 0.418 . . . . 25.0 111.073 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.39 -40.01 92.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.443 0.639 . . . . 25.0 110.374 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.56 -22.67 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.664 -0.648 . . . . 25.0 111.285 179.712 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.55 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 175.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 35.0 t -80.75 -33.13 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 25.0 111.663 -177.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.78 137.14 57.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.237 0.541 . . . . 25.0 112.458 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -77.96 127.13 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 172.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.73 132.27 50.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -177.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 62.7 p -86.6 162.72 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.099 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -32.91 72.71 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -29.17 60.44 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.818 -0.551 . . . . 25.0 111.939 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.46 -36.88 74.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 173.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.81 91.51 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.27 -38.14 89.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.8 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -67.01 -24.58 66.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.721 0.296 . . . . 25.0 110.893 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -113.28 44.18 1.6 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.154 0.582 . . . . 25.0 110.453 178.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 92.7 m -64.94 -25.51 67.91 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.08 -37.78 80.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.836 0.827 . . . . 25.0 111.681 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 64.9 ttp -70.72 -28.52 64.79 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.645 -0.659 . . . . 25.0 109.719 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.35 -36.95 77.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.102 -1.073 . . . . 25.0 108.102 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.2 m -62.46 -43.46 98.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 174.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 27.6 m -62.06 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.735 -0.211 . . . . 25.0 111.276 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.48 -39.09 82.59 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.939 0.4 . . . . 25.0 110.249 178.194 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.198 179.622 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -72.45 -40.82 66.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.92 -0.488 . . . . 25.0 110.888 178.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.548 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 0.6 OUTLIER -65.45 -14.59 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 114.524 1.305 . . . . 25.0 114.524 -172.18 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -63.05 -13.03 30.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.388 -0.82 . . . . 25.0 111.639 174.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -92.04 -5.95 51.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 176.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -76.65 76.01 3.32 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.465 0.65 . . . . 25.0 109.49 174.496 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -75.78 -8.33 56.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 -178.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.01 -29.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.033 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 19.4 m -142.19 119.26 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.523 -0.736 . . . . 25.0 110.13 171.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -68.27 -34.36 76.05 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 9.7 p -56.91 -33.17 41.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 122.052 -0.405 . . . . 25.0 111.426 178.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.72 -40.93 54.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 121.587 -0.696 . . . . 25.0 110.847 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.8 ptp -68.6 -31.38 70.52 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.07 -1.019 . . . . 25.0 109.57 178.265 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.91 -48.15 64.02 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.075 -0.391 . . . . 25.0 110.936 177.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -61.7 -43.37 98.98 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 62.0 p -69.06 -37.95 78.82 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.226 -0.59 . . . . 25.0 112.2 -176.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 4.2 t -73.19 -28.67 62.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.451 -0.781 . . . . 25.0 109.853 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 174.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.217 0.532 . . . . 25.0 110.734 178.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -61.7 -40.45 95.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -66.17 -38.9 89.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 110.64 178.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.42 -45.41 76.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -75.82 -30.41 58.99 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 179.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -64.56 -34.48 78.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 176.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -69.62 -46.36 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.147 0.975 . . . . 25.0 109.936 177.519 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 125.022 2.344 . . . . 25.0 111.94 -179.503 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A 1389 ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 . . . . . 0 N--CA 1.513 2.704 0 CA-C-O 122.566 1.174 . . . . 25.0 112.64 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -178.98 171.19 43.25 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 108.905 -1.678 . . . . 25.0 108.905 175.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1391 ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -151.32 149.89 29.87 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.87 -1.529 . . . . 25.0 106.87 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.8 m -148.53 149.46 31.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.627 0.727 . . . . 25.0 109.368 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1393 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.62 100.04 9.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.802 179.116 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1394 ' ' THR . . . . . . . . . . . . . 26.3 p -116.76 -72.2 0.7 Allowed 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1395 ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -153.64 14.59 0.49 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -170.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 78.4 p -74.16 165.46 25.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1397 ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' B' ' 403' ' ' ILE . 12.4 t80 -82.49 119.33 24.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 168.229 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1398 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.58 128.64 36.65 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.577 -0.702 . . . . 25.0 111.051 -177.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 83.79 40.76 8.6 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 117.023 1.569 . . . . 25.0 117.023 -179.371 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1400 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -28.62 16.55 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 112.481 0.549 . . . . 25.0 112.481 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -66.2 142.32 57.76 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.34 -0.845 . . . . 25.0 111.532 -175.379 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1402 ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -154.52 121.83 5.69 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.119 -2.178 . . . . 25.0 105.119 -178.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -149.92 87.14 1.46 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.543 -0.91 . . . . 25.0 108.543 -175.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1404 ' ' ASP . . . . . . . . . . . . 0.251 14.2 t70 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 124.508 2.099 . . . . 25.0 112.676 -178.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 115.663 1.727 . . . . 25.0 115.663 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.8 -50.08 72.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.547 1.165 . . . . 25.0 108.219 177.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 12.6 m -68.03 -25.1 65.21 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.081 -0.963 . . . . 25.0 112.504 177.438 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -66.67 -38.38 86.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.419 1.009 . . . . 25.0 109.132 174.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.56 -41.76 92.59 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.313 177.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -62.93 -32.59 73.92 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.081 0.467 . . . . 25.0 110.533 178.067 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.84 -46.57 84.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.051 0.929 . . . . 25.0 111.06 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.6 -42.97 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.994 -1.003 . . . . 25.0 108.472 -179.208 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -59.3 -37.68 78.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.55 85.36 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.795 0.331 . . . . 25.0 110.573 177.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.11 -23.0 65.78 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.912 -178.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.62 -48.09 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -69.1 -41.14 77.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.486 177.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.84 -31.79 73.19 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -175.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 19.7 m -80.83 -19.24 45.05 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.608 0.363 . . . . 25.0 111.206 -178.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.05 20.81 13.11 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.285 0.365 . . . . 25.0 111.741 -177.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -77.06 148.13 36.31 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.05 -20.82 26.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -175.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.65 -35.57 75.31 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.036 0.835 . . . . 25.0 112.511 -177.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -159.38 108.75 1.87 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 179.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.6 137.16 32.58 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 123.934 0.771 . . . . 25.0 109.629 -178.123 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -136.7 88.64 2.39 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.958 -1.019 . . . . 25.0 108.839 175.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.43 -42.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 114.457 -1.247 . . . . 25.0 109.814 -175.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -70.73 -36.14 73.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.9 -35.72 81.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.389 -0.819 . . . . 25.0 111.059 176.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.4 -40.66 97.22 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.483 -0.487 . . . . 25.0 109.857 174.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.9 -42.46 94.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 119.917 -0.713 . . . . 25.0 109.81 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.55 -36.64 79.07 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.137 -0.625 . . . . 25.0 112.652 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.31 89.74 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 177.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 82.6 mt -68.53 -40.34 80.79 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 121.79 -0.568 . . . . 25.0 110.801 175.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.09 -39.73 94.69 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.737 0.415 . . . . 25.0 110.461 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.78 -50.99 71.41 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.67 0.271 . . . . 25.0 110.563 175.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -29.11 70.15 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.324 0.583 . . . . 25.0 111.587 -177.458 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.36 -30.16 63.12 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 121.455 -0.778 . . . . 25.0 110.62 176.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 69.1 m -81.06 -23.03 38.8 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.37 145.42 49.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.55 0.69 . . . . 25.0 112.349 -178.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -108.77 67.14 0.65 Allowed 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.4 162.77 4.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 115.692 -0.686 . . . . 25.0 110.43 178.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 45.0 p -72.1 159.07 34.77 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 119.748 -0.781 . . . . 25.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 53.2 mtt -61.29 -37.24 82.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.463 0.649 . . . . 25.0 111.614 179.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.62 -35.93 75.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -179.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.35 -46.58 79.65 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.867 177.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.91 98.46 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 119.662 -0.815 . . . . 25.0 110.296 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.194 0.521 . . . . 25.0 112.368 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -78.45 -32.81 48.66 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.921 -0.487 . . . . 25.0 112.286 -176.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -83.63 50.44 1.8 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 178.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.5 m -64.99 -27.0 68.53 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.646 0.736 . . . . 25.0 110.611 177.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.99 -33.14 73.78 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.939 0.876 . . . . 25.0 110.445 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 67.5 ttp -69.02 -33.06 73.02 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 177.2 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.81 -30.31 37.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.355 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 36.7 m -62.01 -42.24 98.95 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 175.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 32.1 m -60.82 -45.23 95.25 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.499 -0.319 . . . . 25.0 110.22 177.381 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.75 -44.32 96.86 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -26.77 68.53 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.73 -36.18 70.4 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.925 -0.484 . . . . 25.0 110.933 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.495 ' HA ' ' CE2' ' A' 1397 ' ' PHE . 4.7 mt -57.7 -15.87 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -177.455 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -57.77 -12.68 3.22 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.643 -1.286 . . . . 25.0 113.959 176.409 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.462 ' HB2' ' CZ ' ' A' 1397 ' ' PHE . 2.6 mpt_? -85.72 -8.02 58.43 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 118.616 -0.707 . . . . 25.0 112.617 176.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -63.87 78.74 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.633 0 O-C-N 123.688 0.618 . . . . 25.0 111.79 171.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.47 -7.68 53.79 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 120.395 -1.441 . . . . 25.0 111.5 -177.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.76 -34.69 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.88 -178.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 20.3 m -144.92 129.12 17.7 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 115.362 1.615 . . . . 25.0 115.362 177.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.66 -20.59 49.91 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.186 -0.915 . . . . 25.0 112.745 177.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.19 -42.73 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.879 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.69 -39.33 84.99 Favored 'Isoleucine or valine' 0 C--O 1.25 1.09 0 O-C-N 121.414 -0.804 . . . . 25.0 109.663 176.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.86 -39.61 94.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.9 -0.5 . . . . 25.0 111.778 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -42.4 86.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 25.0 111.277 177.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.99 -40.87 97.36 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.986 -0.686 . . . . 25.0 109.169 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 40.8 p -64.03 -28.77 70.02 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.5 -0.75 . . . . 25.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . 0.582 ' HA ' ' CD2' ' B' ' 420' ' ' TYR . 91.8 m -67.58 -38.8 84.56 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.681 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.5 -42.43 98.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.294 -0.262 . . . . 25.0 110.294 175.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.37 -37.27 77.51 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.738 -0.601 . . . . 25.0 112.073 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' B' ' 417' ' ' THR . 22.3 m-85 -58.54 -39.94 81.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.357 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -72.84 -46.49 52.74 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.53 -0.271 . . . . 25.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -57.55 -44.71 85.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.317 0.647 . . . . 25.0 112.165 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -91.11 -0.43 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.233 1.568 . . . . 25.0 115.233 -175.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -75.72 -28.8 58.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -95.08 13.6 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.285 0.564 . . . . 25.0 110.762 -176.669 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 20.3 mmm . . . . . 0 CA--C 1.546 0.803 0 CA-C-O 122.712 1.244 . . . . 25.0 111.849 -176.0 . . . . . . . . 0 0 . 1 stop_ save_